SCHEMBL2912781

SCHEMBL2912781

Cc1c(Cl)cnc(Cl)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 7/20 0.36
POLB P06746 1/20 0.36
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
DAO P14920 1/20 0.34
PLAU P00749 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RPS6KA5 O75582 1/20 0.31
TP53 P04637 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
SCHEMBL3830735 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL3830239 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL29804248 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL23754190 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL17508469 0.80 PLAU (0.36) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL677211 0.77 RECQL (0.41) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL20298343 0.75 KDM4E (0.38) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL22586961 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL25021454 0.72 KDM4E (0.36) ALDH1A1KDM4EPOLBHTTKMT2A
SCHEMBL18956948 0.72 KDM4E (0.36) ALDH1A1KDM4EPOLBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2017201683-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
WO-2016118586-A1 LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-07-28 WO disclosed
WO-2016021742-A1 HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 WO disclosed
US-8071776-B2 Thienopyridines as allosteric potentiators of the M4 muscarinic receptor ELI LILLY AND COMPANY (US) 2011-12-06 US disclosed
EP-1807434-B1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR LILLY CO ELI (US) 2010-08-25 EP disclosed
EP-1999110-B1 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA SA (BE) 2009-09-16 EP disclosed
US-20090105244-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2009-04-23 US disclosed
EP-1999110-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB Pharma, S.A. (BE) 2008-12-10 EP disclosed
WO-2007107345-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA, S.A. (BE) 2007-09-27 WO disclosed
EP-1807434-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006047124-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR ELI LILLY AND COMPANY (US) 2006-05-04 WO disclosed
EP-0163894-B1 COMPOSITE MATERIAL BASF Aktiengesellschaft (DE) 1990-11-14 EP disclosed
US-4764397-A Fiber-reinforced materials BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
US-4649080-A Fiber-reinforced materials BASF AKTIENGESELLSCHAFT (DE) 1987-03-10 US disclosed
EP-0187348-A2 Fibrous composite material BASF Aktiengesellschaft (DE) 1986-07-16 EP disclosed
EP-0163894-A2 Composite material BASF Aktiengesellschaft (DE) 1985-12-11 EP 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 (2 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB ALDH1A1 894/4885KDM4E 3875/4885POLB 3/4885
US-20090105244-A1 THIENOPYRIDINES AS ALLOSTERIC POTENTIATORS OF THE M4 MUSCARINIC RECEPTOR CHRM2, CHRM4, CHRM1 ALDH1A1 2594/4885KDM4E 4056/4885POLB 3715/4885

“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.