SCHEMBL1494469

SCHEMBL1494469

COc1cc(C(C)C)c(Br)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PRKDC P78527 1/20 0.53
ERN1 O75460 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1494034 0.86 PRKDC (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4067830 0.80 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29655238 0.80 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1539323 0.80 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1494390 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL18430735 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL7281047 0.79 CYP1A2 (0.46) PRKDCGAA
SCHEMBL1493885 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1PRKDC
Ammonia Solution, Strong SCHEMBL27836692 0.77 CYP1A2 (0.45) PRKDCGAA
SCHEMBL18712666 0.77 P2RX3 (0.48) GAA

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 86 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-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2024-08-29 US disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
EP-4215182-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2023-07-26 EP disclosed
EP-4215182-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2023-07-26 EP disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 US disclosed
EP-3355889-B1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH AFFERENT PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2022-05-12 US disclosed
EP-3981406-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS Afferent Pharmaceuticals Inc. (US) 2022-04-13 EP 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 (8 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-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20220143015-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 ALDH1A1 1122/4885KDM4E 4640/4885TSHR 1021/4885
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 ALDH1A1 2010/4885KDM4E 2921/4885TSHR 1157/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 ALDH1A1 2230/4885KDM4E 3901/4885TSHR 533/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885TSHR 1029/4885
US-20070049609-A1 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases P2RX3, P2RX2, P2RX1 ALDH1A1 2230/4885KDM4E 3901/4885TSHR 533/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 ALDH1A1 1122/4885KDM4E 4640/4885TSHR 1021/4885

“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.