SCHEMBL3497366

SCHEMBL3497366

C=C(C(=O)O)N1C(C)(C)CC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2F)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.45
EGFR P00533 12/20 0.44
BTK Q06187 6/20 0.44
TYRO3 Q06418 7/20 0.43
SELP P16109 4/20 0.43
CHEK1 O14757 2/20 0.42
IKBKB O14920 2/20 0.42
AURKA O14965 2/20 0.42
MAP4K4 O95819 2/20 0.42
PAK4 O96013 2/20 0.42
CHEK2 O96017 2/20 0.42
ABL1 P00519 2/20 0.42
INSR P06213 2/20 0.42
LCK P06239 2/20 0.42
FGFR1 P11362 2/20 0.42
CSNK2A2 P19784 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
MAPK1 P28482 2/20 0.42
EPHA2 P29317 2/20 0.42

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
SCHEMBL3495585 0.87 PRKCQ (0.57) PRKCQEGFRBTKAURKAITK
SCHEMBL3493105 0.84 EGFR (0.45) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3493106 0.84 EGFR (0.45) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3496512 0.84 PRKCQ (0.59) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3495646 0.84 PRKCQ (0.46) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3495573 0.83 EGFR (0.50) PRKCQEGFRBTKTYRO3AURKA
SCHEMBL3496614 0.82 PRKCQ (0.47) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3495136 0.80 PRKCQ (0.48) PRKCQEGFRBTKTYRO3SELP
SCHEMBL3495681 0.80 ULK1 (0.51) PRKCQEGFRBTKAURKAJAK3
SCHEMBL3495479 0.78 PRKCQ (0.53) PRKCQEGFRBTKTYRO3SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PRKCQ 3/4885EGFR 1181/4885BTK 97/4885

“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.