SCHEMBL13004285

SCHEMBL13004285

Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(N)cc3)n2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.41
NTRK1 P04629 4/20 0.41
AURKB Q96GD4 11/20 0.40
PLK4 O00444 2/20 0.40
AURKC Q9UQB9 2/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
EGFR P00533 2/20 0.40
BMPR1B O00238 1/20 0.40
STK25 O00506 1/20 0.40
RIOK3 O14730 1/20 0.40
CHEK1 O14757 1/20 0.40
GAK O14976 1/20 0.40
MUSK O15146 1/20 0.40
EPHB6 O15197 1/20 0.40
PDPK1 O15530 1/20 0.40
MAP3K13 O43283 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP3K7 O43318 1/20 0.40
NUAK1 O60285 1/20 0.40

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
SCHEMBL13004233 0.93 AURKA (0.49) AURKANTRK1AURKBPLK4AURKC
SCHEMBL13004679 0.91 AURKA (0.42) AURKANTRK1AURKBPLK4AURKC
SCHEMBL13004717 0.90 AURKA (0.41) AURKANTRK1AURKBPLK4AURKC
SCHEMBL63400 0.90 AURKA (0.37) AURKANTRK1AURKBPLK4AURKC
SCHEMBL13004206 0.89 AURKA (0.43) AURKANTRK1AURKBPLK4AURKC
SCHEMBL2954211 0.89 AURKA (0.37) AURKANTRK1AURKBPLK4AURKC
SCHEMBL14532182 0.88 AURKA (0.40) AURKANTRK1AURKBPLK4AURKC
SCHEMBL61335 0.87 AURKA (0.33) AURKANTRK1AURKBPLK4AURKC
SCHEMBL13004272 0.86 AURKA (0.40) AURKANTRK1AURKBPLK4AURKC
SCHEMBL13004234 0.86 AURKA (0.36) AURKANTRK1AURKBPLK4AURKC

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 66/4885NTRK1 1821/4885AURKB 131/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 AURKA 66/4885NTRK1 1821/4885AURKB 131/4885

“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.