SCHEMBL3614657

SCHEMBL3614657

NS(=O)(=O)c1cccc(Nc2ncc(Br)c(-c3cccc4[nH]ccc34)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.48
DCLK1 O15075 4/20 0.48
AURKB Q96GD4 4/20 0.48
PIK3CD O00329 2/20 0.48
PIK3C2G O75747 2/20 0.48
PIK3CG P48736 2/20 0.48
LRRK2 Q5S007 1/20 0.48
CDK1 P06493 10/20 0.48
CDK2 P24941 9/20 0.48
CDK5 Q00535 6/20 0.48
CCNT1 O60563 6/20 0.48
CCNB1 P14635 6/20 0.48
CDK9 P50750 6/20 0.48
CCNE1 P24864 4/20 0.48
CDK5R1 Q15078 3/20 0.48
CCNA2 P20248 3/20 0.48
FLT3 P36888 2/20 0.48
CCND3 P30281 1/20 0.48
CDK6 Q00534 1/20 0.48
JAK3 P52333 7/20 0.48

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
SCHEMBL3620659 0.90 AURKA (0.48) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3620405 0.89 CDK1 (0.55) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3613811 0.89 CDK2 (0.56) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3620876 0.87 BMPR2 (0.56) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3622235 0.83 CDK2 (0.46) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3607870 0.81 JAK1 (0.50) AURKAAURKBLRRK2CDK1CDK2
SCHEMBL3621559 0.80 CDK2 (0.54) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3622052 0.80 CDK2 (0.54) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3615782 0.79 CDK1 (0.49) AURKADCLK1AURKBPIK3CDPIK3C2G
SCHEMBL3612281 0.78 CCNT1 (0.62) CDK1CDK2CDK5CCNT1CCNB1

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 AURKA 3792/4885DCLK1 4153/4885AURKB 3386/4885

“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.