SCHEMBL3497282

SCHEMBL3497282

CCOC(=O)N1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)nc3)ncc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.54
EGFR P00533 6/20 0.53
BTK Q06187 3/20 0.53
BRD4 O60885 2/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
ITK Q08881 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
JAK3 P52333 2/20 0.47
DGAT1 O75907 1/20 0.47
SIK1 P57059 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
SIK3 Q9Y2K2 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3496567 0.93 SYK (0.53) SYKEGFRBTKCDK1CDK4
SCHEMBL5105140 0.90 BRD4 (0.61) SYKEGFRBTKBRD4ITK
SCHEMBL3495111 0.87 EGFR (0.61) SYKEGFRBTKBRD4CDK1
SCHEMBL3495504 0.86 EGFR (0.56) SYKEGFRBTKBRD4CDK1
SCHEMBL3497333 0.85 EGFR (0.54) SYKEGFRBTKBRD4CDK1
SCHEMBL3496601 0.84 ALK (0.52) SYKEGFRBTKBRD4CDK1
SCHEMBL12952133 0.82 SYK (0.60) SYKEGFRBRD4ITKJAK3
SCHEMBL13859334 0.80 EGFR (0.58) SYKEGFRBTKBRD4ITK
SCHEMBL13859271 0.78 EGFR (0.56) SYKEGFRBTKBRD4ITK
SCHEMBL3495226 0.78 DGAT1 (0.48) BRD4CDK1CDK4CCND1CDK2

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 4 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
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 SYK 460/4885EGFR 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.