SCHEMBL429588

SCHEMBL429588

COc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 1.00
HSP90AB1 P08238 1/20 0.68
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
USP2 O75604 2/20 0.52
ABCC1 P33527 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 1/20 0.48

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
SCHEMBL2287561 0.94 BRAF (0.89) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL18537731 0.93 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL1774806 0.93 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL14955091 0.93 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL1776548 0.93 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL14962911 0.93 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL12377464 0.92 BRAF (0.85) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL12600461 0.92 BRAF (0.84) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL12600733 0.90 BRAF (0.82) BRAFHSP90AB1MEN1KMT2AALDH1A1
SCHEMBL19000369 0.90 BRAF (0.82) BRAFHSP90AB1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US claimed
EP-1853609-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-11-14 EP claimed
WO-2006092202-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-09-08 WO claimed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20110034457-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED. (GB) 2011-02-10 US disclosed
US-20110034457-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED. (GB) 2011-02-10 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
EP-1853609-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-11-14 EP disclosed
US-20070213328-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-09-13 US disclosed
US-20070213328-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-09-13 US disclosed
WO-2006092202-A1 THIENOPYRIDINE DERIVATIVES AND USE THEREOF AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-09-08 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-20070213328-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 BRAF 246/4885HSP90AB1 2/4885MEN1 3417/4885
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators HSP90AA1, HSP90AB1, HSP90AB2P BRAF 1646/4885HSP90AB1 2/4885MEN1 4561/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 BRAF 2427/4885HSP90AB1 885/4885MEN1 3532/4885
US-20110034457-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 BRAF 240/4885HSP90AB1 2/4885MEN1 3418/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 BRAF 4247/4885HSP90AB1 1407/4885MEN1 4643/4885

“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.