SCHEMBL6525528

SCHEMBL6525528

O=C1Nc2c(Cl)cccc2C1=Cc1ccc2cn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
NSD2 O96028 1/20 0.43
BCHE P06276 1/20 0.43
DAO P14920 1/20 0.43
CES1 P23141 1/20 0.43
HPGD P15428 1/20 0.42
SIRT2 Q8IXJ6 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOS1 P29475 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL3808119 1.00 TGM2 (0.46) TGM2NSD2BCHEDAOCES1
SCHEMBL3717908 0.86 MAPT (0.40) KDM4EMAPTNPC1MAPK1HTT
SCHEMBL6523883 0.86 PARP1 (0.40) HPGDSIRT2KDM4EMAPTNPC1
SCHEMBL3717910 0.86 MAPT (0.40) KDM4EMAPTNPC1MAPK1HTT
SCHEMBL12795122 0.86 DAO (0.43) DAOKDM4EMAPTNPC1MAPK1
SCHEMBL3717346 0.86 TGM2 (0.44) TGM2SIRT2KDM4EMAPTNPC1
SCHEMBL6523891 0.86 PARP1 (0.40) HPGDSIRT2KDM4EMAPTNPC1
SCHEMBL3717350 0.86 TGM2 (0.44) TGM2SIRT2KDM4EMAPTNPC1
SCHEMBL12848210 0.85 CES1 (0.46) CES1TRPA1TRPM8TRPV1
SCHEMBL6531793 0.85 CES1 (0.46) CES1TRPA1TRPM8TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 TGM2 3236/4885NSD2 4397/4885BCHE 4254/4885

“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.