SCHEMBL91091

SCHEMBL91091

Cc1cc(Nc2cc(N(CC(C)O)CC3CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3F)n2)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.36
AURKB Q96GD4 8/20 0.36
AURKC Q9UQB9 3/20 0.36
PLK4 O00444 3/20 0.36
RIPK1 Q13546 3/20 0.36
SRC P12931 2/20 0.36
BMPR1B O00238 1/20 0.36
STK25 O00506 1/20 0.36
RIOK3 O14730 1/20 0.36
CHEK1 O14757 1/20 0.36
GAK O14976 1/20 0.36
MUSK O15146 1/20 0.36
EPHB6 O15197 1/20 0.36
PDPK1 O15530 1/20 0.36
MAP3K13 O43283 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP3K7 O43318 1/20 0.36
NUAK1 O60285 1/20 0.36
JAK2 O60674 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL60995 0.81 AURKA (0.47) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL13004230 0.74 AURKA (0.47) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL75635 0.74 AURKB (0.44) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL62483 0.74 AURKA (0.47) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL13299509 0.72 AURKA (0.52) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL15872093 0.71 AURKA (0.46) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL13765973 0.71 AURKA (0.54) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL648099 0.70 AURKA (0.58) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL14773832 0.67 AURKA (0.49) AURKAAURKBAURKCPLK4RIPK1
SCHEMBL13842503 0.67 AURKA (0.39) AURKAAURKBAURKCPLK4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-16 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-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 AURKA 66/4885AURKB 131/4885AURKC 49/4885

“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.