SCHEMBL3620876

SCHEMBL3620876

COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1-c1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 12/20 0.56
CCNT1 O60563 4/20 0.49
CDK9 P50750 4/20 0.49
PIK3CD O00329 1/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 1/20 0.48
PIK3C2G O75747 1/20 0.48
PIK3CG P48736 1/20 0.48
LRRK2 Q5S007 1/20 0.48
AURKB Q96GD4 1/20 0.48
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
CCNA2 P20248 1/20 0.46
CCND3 P30281 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
SCHEMBL3620405 0.88 CDK1 (0.55) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3620659 0.87 AURKA (0.48) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3614657 0.87 AURKA (0.48) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3613811 0.86 CDK2 (0.56) BMPR2CCNT1CDK9PIK3CDAURKA
SCHEMBL3607870 0.80 JAK1 (0.50) CCNT1CDK9AURKALRRK2AURKB
SCHEMBL3622235 0.80 CDK2 (0.46) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3622052 0.79 CDK2 (0.54) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3621559 0.79 CDK2 (0.54) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3615782 0.78 CDK1 (0.49) CCNT1CDK9PIK3CDAURKADCLK1
SCHEMBL3622441 0.76 IKBKB (0.59) CCNT1CDK9PIK3CDAURKADCLK1

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 5 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
EP-2094681-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS Novartis AG (CH) 2009-09-02 EP 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 BMPR2 2400/4885CCNT1 3196/4885CDK9 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.