SCHEMBL3080671

SCHEMBL3080671

[CH2]c1ccc(CNS(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 2/20 0.50
TSHR P16473 1/20 0.50
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.44
NAMPT P43490 1/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8837432 0.82 KMT2A (0.46) KMT2AKDM4ECNR2MEN1CA12
SCHEMBL4491485 0.81 KMT2A (0.61) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL14852 0.81 KMT2A (0.61) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL3605081 0.81 KMT2A (0.61) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL5314524 0.79 KMT2A (0.59) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL14862123 0.79 KMT2A (0.59) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL3599158 0.79 KMT2A (0.59) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL22497546 0.79 KMT2A (0.59) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL7230378 0.79 KMT2A (0.65) KMT2AKDM4EPOLBRECQLTSHR
SCHEMBL552189 0.79 KMT2A (0.59) KMT2AKDM4EPOLBRECQLTSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP claimed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 EP disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO disclosed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 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 (1 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 3779/4885KDM4E 3277/4885POLB 3667/4885

“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.