SCHEMBL3615782

SCHEMBL3615782

Cc1cnc(Nc2cc(Cl)cc(S(N)(=O)=O)c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.49
KDR P35968 2/20 0.49
CDK2 P24941 6/20 0.44
CDK7 P50613 5/20 0.44
CCNH P51946 5/20 0.44
CCNT1 O60563 5/20 0.44
CCNB1 P14635 5/20 0.44
CDK9 P50750 5/20 0.44
CCNA2 P20248 4/20 0.44
CCNA1 P78396 3/20 0.44
JAK1 P23458 7/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 7/20 0.44
SYK P43405 4/20 0.42
CDK5 Q00535 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL3620405 0.90 CDK1 (0.55) CDK1KDRCDK2CDK7CCNH
SCHEMBL3617951 0.85 CDK1 (0.54) CDK1KDRCDK2CDK7CCNH
SCHEMBL3607870 0.84 JAK1 (0.50) CDK1KDRCDK2CDK7CCNH
SCHEMBL3622052 0.80 CDK2 (0.54) CDK1KDRCDK2CDK7CCNH
SCHEMBL3621559 0.80 CDK2 (0.54) CDK1KDRCDK2CDK7CCNH
SCHEMBL3614657 0.79 AURKA (0.48) CDK1KDRCDK2CDK7CCNH
SCHEMBL3620659 0.79 AURKA (0.48) CDK1KDRCDK2CDK7CCNH
SCHEMBL3622441 0.78 IKBKB (0.59) CDK1KDRCDK2CDK7CCNH
SCHEMBL3613811 0.78 CDK2 (0.56) CDK1KDRCDK2CDK7CCNH
SCHEMBL3620876 0.78 BMPR2 (0.56) CDK1CDK2CCNT1CCNB1CDK9

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 CDK1 3769/4885KDR 3785/4885CDK2 3078/4885

“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.