SCHEMBL3623722

SCHEMBL3623722

c1cncc(Nc2nccc(-c3cccc4[nH]ccc34)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.55
BRD4 O60885 1/20 0.51
CDK9 P50750 1/20 0.51
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
ABL1 P00519 7/20 0.48
BCR P11274 6/20 0.48
PRKCA P17252 5/20 0.48
PRKCD Q05655 3/20 0.48
EGFR P00533 4/20 0.48
RET P07949 1/20 0.47
SRC P12931 3/20 0.46
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
SYK P43405 1/20 0.46
FLT3 P36888 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL3617870 0.85 EIF2AK2 (0.59) EIF2AK2BRD4CDK9CDK1CCNB1
SCHEMBL14123853 0.84 CDK1 (0.64) EIF2AK2BRD4CDK9CCNB2CDK1
SCHEMBL3937428 0.83 HPGDS (0.45) EIF2AK2BRD4CDK9ABL1BCR
SCHEMBL3936435 0.80 PIK3CD (0.42) EIF2AK2BRD4CDK9ABL1BCR
SCHEMBL3618907 0.80 BRD4 (0.48) EIF2AK2BRD4CDK9PRKCAPRKCD
SCHEMBL13051126 0.80 DYRK1B (0.60) EIF2AK2CCNB2CDK1CCNB1CCNB3
SCHEMBL12723269 0.80 CCNB2 (0.59) EIF2AK2CDK9CCNB2CDK1CCNB1
SCHEMBL3620128 0.79 CDK9 (0.64) EIF2AK2BRD4CDK9CCNB2CDK1
SCHEMBL3615967 0.79 BRD4 (0.47) EIF2AK2BRD4CDK9CCNB2CDK1
SCHEMBL3931746 0.77 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGHPGDS

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
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
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 EIF2AK2 2174/4885BRD4 2447/4885CDK9 3238/4885

“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.