SCHEMBL3497176

SCHEMBL3497176

CN1C(C)(C)CC(Nc2nc(Nc3ccc(NC(=O)c4ccccc4)cc3)ncc2F)CC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.61
BRD4 O60885 2/20 0.58
EGFR P00533 1/20 0.52
BTK Q06187 1/20 0.52
AURKB Q96GD4 1/20 0.51
PRKCQ Q04759 1/20 0.50
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL3496536 0.85 AURKA (0.58) AURKABRD4EGFRBTKAURKB
SCHEMBL3495530 0.85 PRKCQ (0.51) AURKABRD4EGFRBTKAURKB
SCHEMBL3494810 0.84 PRKCQ (0.50) AURKABRD4EGFRBTKAURKB
SCHEMBL3497350 0.83 AURKA (0.58) AURKAEGFRBTKAURKBPRKCQ
SCHEMBL14607329 0.83 AURKA (0.67) AURKABRD4EGFRBTKAURKB
SCHEMBL3494982 0.82 SYK (0.56) AURKAEGFRBTKAURKBPRKCQ
SCHEMBL3493781 0.81 PRKCQ (0.56) AURKABRD4EGFRBTKAURKB
SCHEMBL3495899 0.80 PRKCQ (0.59) AURKAEGFRBTKAURKBPRKCQ
SCHEMBL3493447 0.79 CDK2 (0.55) AURKAAURKBPRKCQ
SCHEMBL3496493 0.79 SYK (0.62) AURKAEGFRBTKAURKBPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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 (1 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ AURKA 495/4885BRD4 1173/4885EGFR 1181/4885

“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.