SCHEMBL3494580

SCHEMBL3494580

COc1ccc(Nc2ncc(F)c(NC3CCN(C)CC3)n2)cc1Cl

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 12/20 0.86
AURKA O14965 1/20 0.59
AURKB Q96GD4 1/20 0.59
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NCOR2 Q9Y618 2/20 0.55
ULK1 O75385 1/20 0.53
ULK2 Q8IYT8 1/20 0.53
BRD4 O60885 3/20 0.53
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL2103262 0.90 BCL6 (0.80) BCL6AURKAAURKBEGFRNCOR2
SCHEMBL3495768 0.89 BCL6 (0.69) BCL6AURKAAURKBEGFRNCOR2
SCHEMBL13253012 0.87 BCL6 (0.66) BCL6EGFRNCOR2ULK1ULK2
SCHEMBL1743271 0.87 BCL6 (0.66) BCL6EGFRNCOR2ULK1ULK2
SCHEMBL3494949 0.85 BCL6 (0.64) BCL6AURKAAURKBEGFRERBB2
SCHEMBL3495051 0.85 BCL6 (0.63) BCL6NCOR2ULK1ULK2BRD4
SCHEMBL3496329 0.83 BCL6 (0.64) BCL6EGFRNCOR2ULK1ULK2
SCHEMBL3497111 0.83 BCL6 (0.61) BCL6EGFRNCOR2ULK1ULK2
SCHEMBL655635 0.82 BCL6 (0.80) BCL6AURKAEGFRNCOR2STK17B
SCHEMBL3494019 0.82 BCL6 (0.62) BCL6NCOR2ULK1ULK2STK17B

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 BCL6 3211/4885AURKA 495/4885AURKB 367/4885

“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.