SCHEMBL1148246

SCHEMBL1148246

O=C(NCC(F)(F)F)c1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.33
AURKA O14965 9/20 0.33
CHEK1 O14757 3/20 0.32
CDK7 P50613 2/20 0.32
PLK4 O00444 2/20 0.32
AURKC Q9UQB9 2/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
JAK1 P23458 2/20 0.32
BMPR1B O00238 1/20 0.32
STK25 O00506 1/20 0.32
RIOK3 O14730 1/20 0.32
GAK O14976 1/20 0.32
MUSK O15146 1/20 0.32
EPHB6 O15197 1/20 0.32
PDPK1 O15530 1/20 0.32
MAP3K13 O43283 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP3K7 O43318 1/20 0.32
NUAK1 O60285 1/20 0.32

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
SCHEMBL14723715 0.94 AURKB (0.33) AURKBAURKACHEK1PLK4AURKC
SCHEMBL1147573 0.85 AURKB (0.41) AURKBAURKACHEK1PLK4AURKC
SCHEMBL13219751 0.82 AURKB (0.50) AURKBAURKACHEK1PLK4AURKC
SCHEMBL1147563 0.82 AURKB (0.49) AURKBAURKACHEK1PLK4AURKC
SCHEMBL13004281 0.82 AURKA (0.39) AURKBAURKACHEK1PLK4AURKC
SCHEMBL1147568 0.80 PTGES (0.35) CHEK1CDK7SCN9A
SCHEMBL14021480 0.79 JAK1 (0.33) AURKBAURKACHEK1PLK4AURKC
SCHEMBL13199435 0.72 AURKB (0.43) AURKBAURKACHEK1PLK4AURKC
SCHEMBL16156485 0.72 AURKB (0.41) AURKBAURKACHEK1PLK4AURKC
SCHEMBL1148028 0.72 AURKB (0.43) AURKBAURKACHEK1PLK4AURKC

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 23 patents — showing the first 20. 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
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-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-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
WO-2008137621-A1 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 AURKB 3/4885AURKA 2/4885CHEK1 37/4885
US-20140037754-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885CHEK1 37/4885
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885CHEK1 37/4885
US-20100215772-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885CHEK1 37/4885

“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.