SCHEMBL1743513

SCHEMBL1743513

CN1CCN(c2ccc(Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2)CC1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.51
BRD4 O60885 4/20 0.48
SYK P43405 8/20 0.46
EGFR P00533 1/20 0.43
ALK Q9UM73 3/20 0.43
FLT3 P36888 1/20 0.43
BTK Q06187 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CCNK O75909 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41

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
SCHEMBL3496819 0.91 ALK (0.49) BRD4SYKALKCCNKCCND3
SCHEMBL3496619 0.90 BRD4 (0.47) PRKCQBRD4SYKEGFRALK
SCHEMBL3494605 0.90 BRD4 (0.47) BRD4SYKCCNKCCND3CDK9
SCHEMBL3496979 0.90 PRKCQ (0.51) PRKCQBRD4SYKEGFRALK
SCHEMBL3496323 0.90 PRKCQ (0.48) PRKCQBRD4SYKEGFRALK
SCHEMBL3494286 0.89 PRKCQ (0.48) PRKCQBRD4SYKEGFRALK
SCHEMBL3494584 0.89 ULK1 (0.47) BRD4EGFRALKFLT3
SCHEMBL3495554 0.88 PRKCQ (0.53) PRKCQBRD4SYKEGFRALK
SCHEMBL3497844 0.87 PRKCQ (0.49) PRKCQBRD4SYKEGFRALK
SCHEMBL3494498 0.87 PRKCQ (0.49) PRKCQBRD4SYKEGFRALK

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 9 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-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
EP-2387402-A2 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8038799-B2 Substrate processing apparatus and substrate processing method KURITA WATER INDUSTRIES LTD. (JP) 2011-10-18 US disclosed
WO-2010083240-A2 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS MIDCAP FINANCIAL TRUST 2010-07-15 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 (2 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 3/4885BRD4 1173/4885SYK 460/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R PRKCQ 3232/4885BRD4 664/4885SYK 1196/4885

“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.