SCHEMBL3495683

SCHEMBL3495683

COc1ccc(Nc2nccc(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.52
BRD4 O60885 1/20 0.48
EPHB4 P54760 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
BCL6 P41182 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKCQ Q04759 1/20 0.40
CDC7 O00311 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL3496523 0.84 STK17B (0.54) BRD4EPHB4MAPTGAABCL6
SCHEMBL3496651 0.83 BCL6 (0.52) BRD4EPHB4MAPTGAABCL6
SCHEMBL3495051 0.82 BCL6 (0.63) BRD4BCL6STK17BSTK17APRKCQ
SCHEMBL3496354 0.80 BCL6 (0.49) BRD4EPHB4MAPTGAABCL6
SCHEMBL3497130 0.80 ULK1 (0.64) BRD4BCL6PRKCQ
SCHEMBL3495615 0.78 SYK (0.55)
SCHEMBL3496521 0.78 BCL6 (0.48) IGF1RBRD4EPHB4MAPTGAA
SCHEMBL3497111 0.77 BCL6 (0.61) BCL6STK17BSTK17APRKCQEGFR
SCHEMBL3495622 0.76 BRD4 (0.56) BRD4MAPTBCL6MEN1LMNA
SCHEMBL3494833 0.75 EPHB4 (0.47) IGF1RBRD4EPHB4CDC7EGFR

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 IGF1R 3555/4885BRD4 1173/4885EPHB4 2829/4885

“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.