SCHEMBL1494400

SCHEMBL1494400

CCOC(=O)c1[nH]c2cc(C(F)(F)F)c(OC)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
HPGD P15428 5/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TUBB4A P04350 6/20 0.49
TUBB P07437 6/20 0.49
TUBA3C P0DPH7 6/20 0.49
TUBA1B P68363 6/20 0.49
TUBA4A P68366 6/20 0.49
TUBB4B P68371 6/20 0.49
TUBB3 Q13509 6/20 0.49
TUBB2A Q13885 6/20 0.49
TUBB8 Q3ZCM7 6/20 0.49
TUBA3E Q6PEY2 6/20 0.49
TUBA1A Q71U36 6/20 0.49
TUBA1C Q9BQE3 6/20 0.49

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
SCHEMBL5803546 0.91 KDM4E (0.54) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL1494524 0.86 ALDH1A1 (0.46) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL1494343 0.77 KDM4E (0.58) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL20183064 0.75 ALDH1A1 (0.34) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL1494436 0.74 KDM4E (0.52) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL14174310 0.73 KDM4E (1.00) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL3993248 0.73 ALDH1A1 (1.00) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL1120783 0.73 ALDH1A1 (0.80) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL19330855 0.72 ALDH1A1 (0.55) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL12255348 0.72 AKR1C2 (0.56) KDM4EHPGDMAPTALDH1A1GAA

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 67 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-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-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-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
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
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
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 (10 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 KDM4E 3345/4885HPGD 814/4885MAPT 4089/4885
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 KDM4E 3901/4885HPGD 800/4885MAPT 4848/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 KDM4E 3345/4885HPGD 814/4885MAPT 4089/4885
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 KDM4E 2921/4885HPGD 705/4885MAPT 4524/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 KDM4E 3345/4885HPGD 814/4885MAPT 4089/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 KDM4E 3901/4885HPGD 800/4885MAPT 4848/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 KDM4E 3345/4885HPGD 814/4885MAPT 4089/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 KDM4E 3901/4885HPGD 800/4885MAPT 4848/4885
US-20200115347-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 KDM4E 3345/4885HPGD 814/4885MAPT 4089/4885
US-20190270713-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 KDM4E 3372/4885HPGD 768/4885MAPT 4091/4885

“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.