SCHEMBL3496567

SCHEMBL3496567

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.53
EGFR P00533 6/20 0.53
BTK Q06187 3/20 0.53
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
ITK Q08881 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
DGAT1 O75907 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
USP30 Q70CQ3 2/20 0.44

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
SCHEMBL3497282 0.93 SYK (0.54) SYKEGFRBTKCDK1CDK4
SCHEMBL5105140 0.83 BRD4 (0.61) SYKEGFRBTKITK
SCHEMBL12952133 0.81 SYK (0.60) SYKEGFRITK
SCHEMBL3495111 0.80 EGFR (0.61) SYKEGFRBTKCDK1CDK2
SCHEMBL3495504 0.79 EGFR (0.56) SYKEGFRBTKCDK1CDK2
SCHEMBL3495454 0.79 PRKCQ (0.51) SYKEGFRBTKCDK2ITK
SCHEMBL3497333 0.78 EGFR (0.54) SYKEGFRBTKCDK1CDK4
SCHEMBL3496601 0.78 ALK (0.52) SYKEGFRBTKCDK1CDK2
SCHEMBL5092095 0.77 SYK (0.55) SYKBTKITK
SCHEMBL12952346 0.77 EGFR (0.55) SYKEGFRBTKCDK1CDK4

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-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 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 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.