SCHEMBL18004337

SCHEMBL18004337

N#Cc1[nH]nnc1-c1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ERBB2 P04626 1/20 0.38
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
ADORA2B P29275 2/20 0.38
ATM Q13315 1/20 0.37
PAK4 O96013 1/20 0.36
PRKX P51817 1/20 0.36
MCL1 Q07820 1/20 0.35
GRM5 P41594 2/20 0.35
CYP1A2 P05177 1/20 0.35
GSR P00390 1/20 0.35
CNR1 P21554 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18004752 0.90 ERBB2 (0.41) USP30ERBB2MCL1GRM5CYP1A2
SCHEMBL18006043 0.90 GP6 (0.41) USP30ERBB2ADORA2AADORA1MCL1
SCHEMBL18006041 0.89 ADORA1 (0.44) ADORA2AADORA1ADORA2BATMGRM5
SCHEMBL18004342 0.89 TAAR1 (0.44) ADORA2AADORA1ADORA2BATMGRM5
SCHEMBL18004329 0.88 GP6 (0.42) USP30ERBB2ADORA2AADORA1ADORA2B
SCHEMBL1250229 0.88 ERBB2 (0.47) ERBB2MCL1GRM5CYP1A2KDM4E
SCHEMBL18004757 0.88 ADORA2A (0.35) ERBB2ADORA2AADORA1ADORA2BATM
SCHEMBL18006039 0.87 IDO1 (0.41) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL18006033 0.87 MARK3 (0.42) MAPK14
SCHEMBL18003805 0.87 ERBB2 (0.39) ERBB2ADORA2AADORA1MCL1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 USP30 2432/4885MAPK13 379/4885GCGR 499/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP30 2432/4885MAPK13 379/4885GCGR 499/4885

“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.