SCHEMBL1148110

SCHEMBL1148110

O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Nc3ncns3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.39
AURKB Q96GD4 11/20 0.39
AURKA O14965 9/20 0.39
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PTGES O14684 1/20 0.35
SRC P12931 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL16156479 0.84 CHRNA7 (0.39) CHRNA7AURKBAURKAPPARAPPARG
SCHEMBL1147631 0.83 MEN1 (0.33) CHRNA7PPARAPPARGPTGES
SCHEMBL1148104 0.82 CHRNA7 (0.47) CHRNA7AURKBAURKASRCGSK3B
SCHEMBL1147568 0.82 PTGES (0.35) PPARAPPARGPTGES
SCHEMBL1148030 0.82 AURKB (0.42) CHRNA7AURKBAURKASRCGSK3B
SCHEMBL1148241 0.81 AURKA (0.51) AURKBAURKASRCGSK3B
SCHEMBL1148052 0.81 AURKB (0.44) CHRNA7AURKBAURKAPPARAPPARG
SCHEMBL1148028 0.81 AURKB (0.43) AURKBAURKASRC
SCHEMBL1148025 0.81 AURKB (0.43) AURKBAURKASRC
SCHEMBL3034270 0.81 AURKB (0.43) CHRNA7AURKBAURKAPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 US disclosed
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 US disclosed
EP-2152696-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2014-09-24 EP disclosed
EP-2152696-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2014-09-24 EP disclosed
US-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 US disclosed
US-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 US disclosed
US-8383633-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
US-8383633-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
US-8383633-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
US-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-24 US disclosed
US-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-24 US disclosed
US-20100215772-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 US disclosed
US-20100215772-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 US disclosed
US-20100215772-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 US disclosed
EP-2155730-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-02-24 EP disclosed
EP-2152696-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-02-17 EP disclosed
WO-2008137621-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-13 WO disclosed
WO-2008137622-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-13 WO disclosed
WO-2008137622-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-13 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 (4 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-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRNA7 4762/4885AURKB 3/4885AURKA 2/4885
US-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRNA7 4762/4885AURKB 3/4885AURKA 2/4885
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRNA7 4762/4885AURKB 3/4885AURKA 2/4885
US-20100215772-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CHRNA7 4762/4885AURKB 3/4885AURKA 2/4885

“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.