SCHEMBL1494496

SCHEMBL1494496

COc1cc(C(C)C)c(S(=O)(=O)c2ccc(C)cc2)cc1-c1cscn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.37
SCN9A Q15858 1/20 0.36
TP53 P04637 3/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CNR1 P21554 1/20 0.34
APLNR P35414 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5528215 0.84 GFER (0.38) SCN9ACYP1A1CYP1A2CYP1B1APLNR
SCHEMBL1493945 0.81 IMPDH2 (0.39) NR1I2TP53CNR1ALDH1A1TSHR
SCHEMBL1494233 0.77 CNR1 (0.40) NR1I2TP53CNR1ALDH1A1TSHR
SCHEMBL1494184 0.73 KDM4E (0.40) CYP1A1CYP1A2CYP1B1KDM4EMAPT
SCHEMBL1494186 0.72 NR1I2 (0.43) NR1I2CNR1ALDH1A1TSHRMAPT
SCHEMBL1494399 0.71 NR1I2 (0.41) NR1I2TP53CNR1ALDH1A1TSHR
SCHEMBL18430753 0.70 IMPDH2 (0.36) CYP1A1CYP1A2CYP1B1KDM4EMAPT
SCHEMBL12101226 0.70 NPC1 (0.38) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL4762926 0.70 TP53 (0.38) NR1I2TP53CNR1ALDH1A1TSHR
SCHEMBL4762991 0.70 NR1I2 (0.39) NR1I2TP53CNR1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2019-09-05 US disclosed
US-20190016688-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2019-01-17 US disclosed
US-20180311240-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2018-11-01 US disclosed
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC 2011-03-31 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
US-7858632-B2 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
EP-1924264-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC 2007-03-01 US disclosed
EP-1725540-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095359-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine ROCHE PALO ALTO LLC 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210009531-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 NR1I2 833/4885SCN9A 1386/4885TP53 3577/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20050209260-A1 Purinergic receptor antagonists; genitourinary and pain-related diseases; for example, 5-(2-isopropyl-4,5-dimethoxybenzyl)-pyrimidine-2,4-diamine P2RX3, P2RX2, P2RX1 NR1I2 578/4885SCN9A 1055/4885TP53 2972/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 NR1I2 833/4885SCN9A 1386/4885TP53 3577/4885
US-20180311240-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 NR1I2 833/4885SCN9A 1386/4885TP53 3577/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 NR1I2 833/4885SCN9A 1386/4885TP53 3577/4885
US-20190016688-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 915/4885SCN9A 727/4885TP53 1637/4885
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 987/4885SCN9A 720/4885TP53 1727/4885
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 NR1I2 932/4885SCN9A 741/4885TP53 1735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.