SCHEMBL13004288

SCHEMBL13004288

Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Nc3ccc4nc(C(F)(F)F)[nH]c4c3)n2)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.36
AURKB Q96GD4 12/20 0.36
USP30 Q70CQ3 1/20 0.35
RIPK1 Q13546 4/20 0.34
GALR2 O43603 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13004271 0.85 CYP1A2 (0.37) AURKAAURKBRIPK1ALDH1A1
SCHEMBL13060373 0.79 AURKA (0.52) AURKAAURKBRIPK1
SCHEMBL13004668 0.77 CYP1A2 (0.37) AURKAAURKBRIPK1ALDH1A1
SCHEMBL91092 0.74
SCHEMBL61335 0.73 AURKA (0.33) AURKAAURKBRIPK1
SCHEMBL2614919 0.72 AURKB (0.47) AURKAAURKBRIPK1ALDH1A1
SCHEMBL13004679 0.71 AURKA (0.42) AURKAAURKBRIPK1
SCHEMBL13004667 0.71 AURKA (0.35) AURKAAURKBRIPK1
SCHEMBL2954211 0.70 AURKA (0.37) AURKAAURKBRIPK1
SCHEMBL13004233 0.70 AURKA (0.49) AURKAAURKBRIPK1

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 131/4885USP30 2383/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 AURKA 66/4885AURKB 131/4885USP30 2383/4885

“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.