SCHEMBL1741969

SCHEMBL1741969

NC(=O)c1cc2c(s1)C=CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
PNMT P11086 1/20 0.33
F2 P00734 1/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
STS P08842 1/20 0.31
KDR P35968 2/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31

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
SCHEMBL19433685 0.73 PTPN2 (0.39) NOTUMSTSKDRCHEK1AURKA
SCHEMBL28406622 0.69 KDM4E (0.35) NOTUMPNMTF2KDRCHEK1
SCHEMBL10712969 0.64 CA1 (0.32) CA1CA9STSTSHR
Benzamide SCHEMBL27673932 0.64 HSD17B10 (0.44) MAPK8TSHR
SCHEMBL30441163 0.63 PNMT (0.46) NOTUMPNMTF2KDRCHEK1
SCHEMBL3651831 0.63 PNMT (0.40) NOTUMPNMTF2KDRCHEK1
SCHEMBL30387165 0.63 TSHR (0.53) STSCHEK1TSHR
SCHEMBL30444192 0.63 PNMT (0.40) NOTUMPNMTF2KDRCHEK1
SCHEMBL6649922 0.63 STS (0.54) STSTSHR
SCHEMBL786065 0.63 TSHR (0.53) STSCHEK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US claimed
WO-2009126844-A2 DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2009-10-15 WO claimed
US-20140271922-A1 PIRENZEPINE AS AN AGENT IN CANCER TREATMENT PROTEOSYS AG (DE) 2014-09-18 US disclosed
EP-2231152-B1 THIENOPYRANONES AS KINASE INHIBITORS SIGNALRX PHARMACEUTICALS INC (US) 2014-01-01 EP disclosed
US-8466144-B2 Muscarinic antagonists with parp and sir modulating activity as cytoprotective agents PROTEOSYS AG (DE) 2013-06-18 US disclosed
US-20110294791-A1 PIRENZEPINE AS AN AGENT IN CANCER TREATMENT PROTEOSYS AG (DE) 2011-12-01 US disclosed
EP-2387405-A2 PIRENZEPINE AS AN AGENT IN CANCER TREATMENT ProteoSys AG (DE) 2011-11-23 EP disclosed
US-20110263574-A1 PIRENZEPINE AS OTOPROTECTIVE AGENT PROTEOSYS AG (DE) 2011-10-27 US disclosed
EP-2379080-A1 PIRENZEPINE AS OTOPROTECTIVE AGENT ProteoSys AG (DE) 2011-10-26 EP disclosed
US-8039464-B2 Muscarinic antagonists with PARP and SIR modulating activity as agents for inflammatory diseases PROTEOSYS AG (DE) 2011-10-18 US disclosed
US-8042008-B2 Information processing device, transfer circuit and error controlling method for information processing device FUJITSU LIMITED (JP) 2011-10-18 US disclosed
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US disclosed
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US disclosed
US-6486163-B1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-11-26 US disclosed
US-6486163-B1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-11-26 US disclosed
US-6387909-B1 VISION DEFECTS; BENIGN PROSTATIC HYPERPLASIA RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-05-14 US disclosed
US-6387909-B1 VISION DEFECTS; BENIGN PROSTATIC HYPERPLASIA RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-05-14 US disclosed
EP-1200445-A1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
US-6306861-B1 ANTISPASMODIC AGENTS AND TREATMENT OF INCONSTANCE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-23 US disclosed
WO-2001009140-A1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-02-08 WO 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 (5 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-20140271922-A1 PIRENZEPINE AS AN AGENT IN CANCER TREATMENT PDK2, PARP1, PDK4 NOTUM 3088/4885PNMT 150/4885F2 2649/4885
US-20110263574-A1 PIRENZEPINE AS OTOPROTECTIVE AGENT PIR, HTR5A, GRIK5 NOTUM 3159/4885PNMT 63/4885F2 1950/4885
US-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 NOTUM 2942/4885PNMT 426/4885F2 1032/4885
US-20110294791-A1 PIRENZEPINE AS AN AGENT IN CANCER TREATMENT PDK2, PARP1, PDK4 NOTUM 2927/4885PNMT 141/4885F2 2592/4885
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF ADRB3, CHRM3, QDPR NOTUM 1723/4885PNMT 28/4885F2 3196/4885

“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.