SCHEMBL3592265

SCHEMBL3592265

Nc1ccc(Nc2ncc3cnn([C@@H]4Cc5cccc6cccc4c56)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK14 Q16539 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
AURKA O14965 12/20 0.38
CDK1 P06493 11/20 0.38
CCNB1 P14635 6/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRK1 P41145 1/20 0.37
SYK P43405 1/20 0.37
CDK4 P11802 1/20 0.36
AURKB Q96GD4 5/20 0.36
FLT3 P36888 1/20 0.36
JAK3 P52333 1/20 0.35
ULK1 O75385 1/20 0.35

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
SCHEMBL3590707 1.00 ABL1 (0.39) ABL1PDGFRBKITSRCPDGFRA
SCHEMBL3580556 1.00 ABL1 (0.39) ABL1PDGFRBKITSRCPDGFRA
SCHEMBL3592469 0.87 GRM5 (0.40) PIK3CDPIK3R1AURKACDK1CCNB1
SCHEMBL3588605 0.86 GSK3B (0.43) AURKAAURKB
SCHEMBL3589173 0.86 GSK3B (0.43) AURKAAURKB
SCHEMBL3588602 0.86 GSK3B (0.43) AURKAAURKB
SCHEMBL3587314 0.85 CDK4 (0.48) PDGFRBSRCPDGFRAAURKACDK1
SCHEMBL3586958 0.85 CDK4 (0.55) PDGFRBKITSRCPDGFRAMAPK14
SCHEMBL3584323 0.85 CDK4 (0.55) PDGFRBKITSRCPDGFRAMAPK14
SCHEMBL3584319 0.85 CDK4 (0.55) PDGFRBKITSRCPDGFRAMAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B ABL1 374/4885PDGFRB 2901/4885KIT 1471/4885

“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.