SCHEMBL4701159

SCHEMBL4701159

COC(=O)c1cnc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 3/20 0.42
ATM Q13315 1/20 0.42
P2RY12 Q9H244 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
PSMD14 O00487 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
RAPGEF3 O95398 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL31719508 0.84 TDP1 (0.50) TDP1MAPK1P2RY12L3MBTL1ALDH1A1
SCHEMBL1008697 0.84 TDP1 (0.50) TDP1MAPK1P2RY12L3MBTL1ALDH1A1
SCHEMBL13291180 0.83 KDM4E (0.49) TDP1MAPK1ATMKDM4EL3MBTL1
SCHEMBL17294335 0.83 ATM (0.47) TDP1MAPK1ATMKDM4EL3MBTL1
SCHEMBL24423786 0.82 ALDH1A1 (0.39) TDP1MAPK1KDM4EL3MBTL1POLB
SCHEMBL29584921 0.82 ALDH1A1 (0.39) TDP1MAPK1KDM4EL3MBTL1POLB
SCHEMBL30965177 0.81 MAPK1 (0.42) TDP1MAPK1ATMKDM4EL3MBTL1
SCHEMBL26075541 0.81 MAPK1 (0.42) TDP1MAPK1ATMKDM4EL3MBTL1
SCHEMBL25563839 0.81 MAPK1 (0.42) TDP1MAPK1ATMKDM4EL3MBTL1
SCHEMBL24608334 0.80 HCAR2 (0.43) TDP1MRGPRX4KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
EP-4271664-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-11-08 EP disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
EP-1276726-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
WO-2001081316-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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 (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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 TDP1 1874/4885MAPK1 1124/4885ATM 4139/4885
US-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 TDP1 2375/4885MAPK1 3804/4885ATM 3915/4885

“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.