SCHEMBL4494580

SCHEMBL4494580

Cc1cccc(C)c1-c1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.56
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
STAT6 P42226 2/20 0.54
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
CCNA1 P78396 2/20 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
SCHEMBL4489927 0.90 CDK4 (0.66) SYKCDK4CCND1STAT6CCNA2
SCHEMBL4350454 0.81 CDK4 (0.81) SYKCDK4CCND1STAT6CDK2
SCHEMBL30962614 0.81 SYK (0.62) SYKCDK4CCND1STAT6CCNA2
SCHEMBL5686069 0.79 SYK (0.53) SYKCDK4CCND1
SCHEMBL4506782 0.78 LCK (0.58) SYKCDK4CCND1
SCHEMBL24044993 0.78 MAPK9 (0.77) SYKCDK2
SCHEMBL4497762 0.78 LCK (0.60) CDK4CCND1
SCHEMBL5686341 0.77 LCK (0.48) SYK
SCHEMBL4350957 0.77 CDK4 (0.64) SYKCDK4CCND1STAT6CDK2
SCHEMBL4494570 0.77 LCK (0.51)

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 SYK 1151/4885CDK4 457/4885CCND1 1265/4885

“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.