SCHEMBL1078617

SCHEMBL1078617

CCC(=O)Nc1ccc(Sc2nc(Cl)cc(Nc3cc(C)n[nH]3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.64
AURKA O14965 15/20 0.64
SRC P12931 1/20 0.54
GSK3B P49841 1/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
CHRNA7 P36544 1/20 0.45

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
SCHEMBL2201749 0.90 AURKB (0.64) AURKBAURKASRCGSK3BABL1
SCHEMBL1532353 0.90 AURKB (0.53) AURKBAURKASRCGSK3B
SCHEMBL1299976 0.89 AURKB (0.51) AURKBAURKASRCGSK3BABL1
SCHEMBL2203838 0.87 AURKB (0.60) AURKBAURKASRCGSK3BABL1
SCHEMBL2204784 0.87 AURKB (0.60) AURKBAURKASRCGSK3BABL1
SCHEMBL12338773 0.87 AURKB (0.60) AURKBAURKASRCGSK3BABL1
SCHEMBL648099 0.87 AURKA (0.58) AURKBAURKASRCGSK3BABL1
SCHEMBL2204846 0.86 AURKB (0.76) AURKBAURKASRCGSK3BABL1
SCHEMBL1816236 0.85 AURKB (0.55) AURKBAURKASRCGSK3B
SCHEMBL12338796 0.85 AURKB (0.57) AURKBAURKASRCGSK3BABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
EP-2292614-A1 Substituted pyrimidines as aurora kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-09 EP disclosed
EP-1746093-B1 Process for preparing substituted pyrimidines VERTEX PHARMA (US) 2011-02-16 EP disclosed
EP-2277876-A1 Substituted pyrimidines for the treatment of cancer Vertex Pharmaceuticals Incorporated (US) 2011-01-26 EP disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
EP-1954277-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2008-08-13 EP disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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 (2 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 AURKB 131/4885AURKA 66/4885SRC 239/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 AURKB 131/4885AURKA 66/4885SRC 239/4885

“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.