SCHEMBL3618907

SCHEMBL3618907

CNc1nccc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CDK9 P50750 1/20 0.48
PIK3CD O00329 2/20 0.47
EIF2AK2 P19525 1/20 0.46
FLT3 P36888 3/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
IDH2 P48735 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK1A Q13627 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
GSK3B P49841 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL20691186 0.82 EIF2AK2 (0.67) BRD4CDK9EIF2AK2FLT3MKNK1
SCHEMBL14123853 0.80 CDK1 (0.64) BRD4CDK9EIF2AK2FLT3MKNK1
SCHEMBL3615967 0.80 BRD4 (0.47) BRD4CDK9PIK3CDEIF2AK2FLT3
SCHEMBL3623722 0.80 EIF2AK2 (0.55) BRD4CDK9PIK3CDEIF2AK2FLT3
SCHEMBL3812805 0.80 MAPK8 (0.42) BRD4CDK9PIK3CDEIF2AK2FLT3
SCHEMBL3617870 0.79 EIF2AK2 (0.59) BRD4CDK9EIF2AK2PRKCAPRKACA
SCHEMBL3618475 0.79 CDK1 (0.60) EIF2AK2FLT3MKNK2PDPK1DYRK1A
SCHEMBL3615777 0.78 GSK3B (0.67) CDK9PIK3CDPDPK1DYRK1AGSK3B
SCHEMBL3618940 0.78 PIK3CD (0.50) BRD4CDK9PIK3CDFLT3IDH2
SCHEMBL17819109 0.78 DYRK1A (0.49) CDK9DYRK1AMAPK9MAPK13RAF1

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 BRD4 2447/4885CDK9 3238/4885PIK3CD 4775/4885

“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.