SCHEMBL3615967

SCHEMBL3615967

c1cc(-c2ccnc(Nc3cc[nH]n3)n2)c2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CDK9 P50750 1/20 0.47
FLT3 P36888 4/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
PRKCA P17252 2/20 0.42
PRKACA P17612 2/20 0.42
PRKCD Q05655 2/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
EIF2AK2 P19525 1/20 0.41
SYK P43405 3/20 0.41
PIK3CD O00329 2/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 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
SCHEMBL3618907 0.80 BRD4 (0.48) BRD4CDK9FLT3MKNK1MKNK2
SCHEMBL3623722 0.79 EIF2AK2 (0.55) BRD4CDK9FLT3MKNK1MKNK2
SCHEMBL3617870 0.78 EIF2AK2 (0.59) BRD4CDK9ABL1BCRPRKCA
SCHEMBL14123853 0.77 CDK1 (0.64) BRD4CDK9FLT3MKNK1MKNK2
SCHEMBL3618940 0.75 PIK3CD (0.50) BRD4CDK9FLT3PRKCAPRKACA
SCHEMBL15124961 0.74 PRKCD (0.50) ABL1PRKCAPRKACAPRKCDEGFR
SCHEMBL3618475 0.73 CDK1 (0.60) FLT3MKNK2PRKACAPRKCDEIF2AK2
SCHEMBL3620128 0.73 CDK9 (0.64) BRD4CDK9FLT3ABL1BCR
SCHEMBL3615777 0.72 GSK3B (0.67) CDK9PRKACAPRKACGPRKACBPIK3CD
SCHEMBL3812805 0.71 MAPK8 (0.42) BRD4CDK9FLT3MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 BRD4 2447/4885CDK9 3238/4885FLT3 4558/4885

“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.