SCHEMBL11029725

SCHEMBL11029725

COc1cc(N2CCN(C)CC2)ccc1Nc1cc(Br)cnc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ PLK1 P53350 2/20 0.58
▸ CCNA1 P78396 2/20 0.58
▸ PLK3 Q9H4B4 2/20 0.58
▸ PLK2 Q9NYY3 2/20 0.58
▸ PIM1 P11309 2/20 0.56
▸ TTK P33981 2/20 0.56
▸ PIM2 Q9P1W9 1/20 0.56
▸ ALK Q9UM73 6/20 0.51
▸ DYRK1A Q13627 2/20 0.49
▸ MAP3K7 O43318 2/20 0.49
▸ RPS6KA4 O75676 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ FLT4 P35916 1/20 0.49

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
SCHEMBL11027974 0.83 SLC2A1 (0.54) CCNA2CDK2CCNA1PIM1TTK
SCHEMBL11027989 0.80 CCNT1 (0.53) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL11029792 0.80 CCNA2 (0.50) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL11026445 0.79 EGFR (0.51) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL11033146 0.77 ALK (0.58) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL28968032 0.75 MAPK10 (0.49) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL10127381 0.74 ALK (0.64) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL12698419 0.72 TTK (1.00) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL526773 0.72 PLK1 (0.76) CCNA2CDK2PLK1CCNA1PLK3
SCHEMBL443851 0.72 IRAK4 (0.50) CCNA2CDK2PLK1CCNA1PLK3

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-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 — — US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 — — EP disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — WO disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — US 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-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 CCNA2 403/4885CDK2 18/4885PLK1 126/4885

“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.

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