SCHEMBL13004255

SCHEMBL13004255

Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4nc(C(F)(F)F)n(C)c4c3)n2)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.38
AURKB Q96GD4 11/20 0.38
NTRK1 P04629 4/20 0.35
MAP3K12 Q12852 2/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
PLK4 O00444 2/20 0.34
AURKC Q9UQB9 2/20 0.34
BMPR1B O00238 1/20 0.34
STK25 O00506 1/20 0.34
RIOK3 O14730 1/20 0.34
CHEK1 O14757 1/20 0.34
GAK O14976 1/20 0.34
MUSK O15146 1/20 0.34
EPHB6 O15197 1/20 0.34
PDPK1 O15530 1/20 0.34
MAP3K13 O43283 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP3K7 O43318 1/20 0.34
NUAK1 O60285 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
SCHEMBL13004235 0.94 AURKA (0.36) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL13004236 0.90 AURKA (0.38) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL2614901 0.88 AURKB (0.46) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL2614906 0.86 AURKB (0.43) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL2614904 0.86 AURKB (0.43) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL13004667 0.82 AURKA (0.35) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL2614931 0.82 AURKB (0.36) AURKAAURKBNTRK1MAP3K12
SCHEMBL2614902 0.81 AURKA (0.41) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL13004211 0.81 AURKA (0.36) AURKAAURKBNTRK1MAP3K12ABL1
SCHEMBL13060372 0.78 AURKB (0.55) AURKAAURKBNTRK1MAP3K12ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US 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
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 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 (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 AURKA 66/4885AURKB 131/4885NTRK1 1821/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 AURKA 66/4885AURKB 131/4885NTRK1 1821/4885

“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.