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Sugi Predict / Compounds / SCHEMBL3495534

SCHEMBL3495534

SCHEMBL3495534

CN1C(C)(C)CC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2F)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.47
▸ SYK P43405 1/20 0.44
▸ TYRO3 Q06418 11/20 0.43
▸ SELP P16109 6/20 0.39
▸ STK17A Q9UEE5 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ AURKA O14965 3/20 0.38
▸ CHEK1 O14757 2/20 0.38
▸ IKBKB O14920 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ CHEK2 O96017 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ INSR P06213 2/20 0.38
▸ LCK P06239 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ CSNK2A2 P19784 2/20 0.38
▸ CCNA2 P20248 2/20 0.38

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
SCHEMBL3496512 0.87 PRKCQ (0.59) PRKCQSYKTYRO3SELPSTK17A
SCHEMBL3495055 0.84 PRKCQ (0.50) PRKCQSYKTYRO3STK17AKDR
SCHEMBL3496406 0.83 BCL6 (0.59) PRKCQSYKSTK17ABCL6
SCHEMBL3495479 0.83 PRKCQ (0.53) PRKCQSYKTYRO3SELPAURKA
SCHEMBL3495668 0.81 ULK1 (0.50) PRKCQSYKKDRAURKAEGFR
SCHEMBL3494811 0.78 SYK (0.63) PRKCQSYKAURKAEGFRBTK
SCHEMBL3495574 0.78 ULK1 (0.51) PRKCQSYKAURKAEGFRJAK3
SCHEMBL3496315 0.76 PRKCQ (0.56) PRKCQSYKSTK17AEGFRMAPK1
SCHEMBL3495009 0.76 PRKCQ (0.61) PRKCQSYKTYRO3STK17AKDR
SCHEMBL3493194 0.76 PRKCQ (0.61) PRKCQSYKSTK17AKDRAURKB

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 7 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
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 — — EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 — — WO 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 PRKCQ 3/4885SYK 460/4885TYRO3 852/4885

“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.