SCHEMBL347805

SCHEMBL347805

c1ccc(-c2cccn2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.53
ATM Q13315 1/20 0.47
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
CDK8 P49336 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 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
SCHEMBL12270231 0.88 PCSK9 (0.52) PCSK9ATMPTGS2PTGS1RAB9A
SCHEMBL28615315 0.88 PCSK9 (0.44) PCSK9ATMPTGS2PTGS1RAB9A
Formamide SCHEMBL28739639 0.88 ATM (0.52) PCSK9ATMPTGS2PTGS1RAB9A
SCHEMBL25611797 0.86 NOTUM (0.46) PCSK9PTGS2PTGS1RAB9ANPC1
SCHEMBL27936097 0.86 PTGS2 (0.62) PCSK9ATMPTGS2PTGS1RAB9A
SCHEMBL6283123 0.86 MMP3 (0.46) PCSK9ATMPTGS2PTGS1RAB9A
SCHEMBL15591146 0.82 PTGS2 (0.41) PCSK9ATMPTGS2PTGS1RAB9A
SCHEMBL6286504 0.81 RAB9A (0.50) ATMPTGS2RAB9ANPC1ALDH1A1
SCHEMBL28805488 0.81 TAAR1 (0.52) PCSK9ATMPTGS2PTGS1NPC1
SCHEMBL13045141 0.80 PCSK9 (0.49) PCSK9PTGS2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758414-B1 RUTHENIUM CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW SILICONES CORP (US) 2018-11-21 EP claimed
CN-107573273-A A kind of preparation method of three substitution, 3 cyanopyrrole analog derivatives 浙江大学 2018-01-12 CN claimed
US-20130084281-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2013-04-04 US claimed
US-8247423-B2 Methods and compositions for the treatment of cancer, tumors, and tumor-related disorders TRAGARA PHARMACEUTICALS, INC. (US) 2012-08-21 US claimed
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS INC. (US) 2012-03-01 US claimed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 US claimed
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] TRAGARA PHARMACEUTICALS, INC (US) 2011-12-15 US claimed
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites TRAGARA PHARMACEUTICALS, INC. 2011-12-08 US claimed
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2011-12-08 US claimed
JP-2011506277-A 2011-03-03 JP claimed
EP-2175722-A2 PATIENT SELECTION AND THERAPEUTIC METHODS USING MARKERS OF PROSTAGLANDIN METABOLISM Tragara Pharmaceuticals, Inc. (US) 2010-04-21 EP claimed
EP-2170062-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS Tragara Pharmaceuticals, Inc. (US) 2010-04-07 EP claimed
WO-2009070547-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 WO claimed
WO-2009070546-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 WO claimed
WO-2009042612-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO claimed
WO-2009042613-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL INHIBITORS OF EGFR [ERBB1] AND HER-2 [ERBB2] TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO claimed
WO-2009042618-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO claimed
WO-2009009778-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
WO-2009009776-A2 PATIENT SELECTION AND THERAPEUTIC METHODS USING MARKERS OF PROSTAGLANDIN METABOLISM TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20130084281-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 PCSK9 511/4885ATM 1259/4885PTGS2 565/4885
US-20090017024-A1 Methods and Compositions for the Treatment of Cancer, Tumors, and Tumor-Related Disorders TP53, VHL, TSG101 PCSK9 511/4885ATM 1259/4885PTGS2 565/4885
US-20110306572-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL InHIBITORS OF EGFR [ErbB1] AND HER-2 [ErbB2] ERBB2, EGFR, ERBB3 PCSK9 2479/4885ATM 2229/4885PTGS2 11/4885
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 PCSK9 1382/4885ATM 1790/4885PTGS2 3/4885
US-20110301169-A1 Therapies for Treating Cancer Using Combinations of COX-2 Inhibitors and Antimetabolites PTGS2, PTGES2, PTGER2 PCSK9 2211/4885ATM 2994/4885PTGS2 1/4885
US-20120052061-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND ANTI-HER2(ERBB2) ANTIBODIES OR COMBINATIONS OF COX-2 INHIBITORS AND HER2(ERBB2) RECEPTOR TYROSINE KINASE INHIBITORS ERBB2, PTGER2, PTGS2 PCSK9 2245/4885ATM 1781/4885PTGS2 3/4885
US-20110301209-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TP53, VHL, TSG101 PCSK9 511/4885ATM 1259/4885PTGS2 565/4885

“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.