SCHEMBL4488495

SCHEMBL4488495

NC(=O)c1cnc(Nc2ccc(N3CCNCC3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.62
STAT6 P42226 1/20 0.58
CDK4 P11802 7/20 0.55
CDK2 P24941 5/20 0.55
CCNA2 P20248 4/20 0.55
CCND3 P30281 3/20 0.55
CDK6 Q00534 2/20 0.55
ACVR1 Q04771 1/20 0.51
PTK2 Q05397 2/20 0.51
CCND1 P24385 4/20 0.50
STK17A Q9UEE5 2/20 0.50
CSF1R P07333 1/20 0.50
STK17B O94768 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
CCNE1 P24864 2/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
FGFR1 P11362 2/20 0.48

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
SCHEMBL28228708 0.88 SYK (0.54) SYKSTAT6CDK4CDK2CCNA2
SCHEMBL4492001 0.85 SYK (0.62) SYKSTAT6CDK4CDK2CCNA2
SCHEMBL5686069 0.81 SYK (0.53) SYKCDK4CCND1
SCHEMBL5686121 0.81 SYK (0.64) SYKCDK2CSF1RMAPK8MAPK9
SCHEMBL7064739 0.80 SYK (0.60) SYKSTAT6CDK4CDK2CCNA2
SCHEMBL4936386 0.80 SYK (0.60) SYKSTAT6CDK4CDK2CCNA2
SCHEMBL5686165 0.79 FLT3 (0.56) CDK4CDK2CDK6CCND1CSF1R
SCHEMBL21275499 0.78 PLK4 (0.57) CDK4CDK2CCNA2CDK6ACVR1
SCHEMBL4499479 0.77 SYK (0.67) SYKSTAT6CDK4ACVR1JAK2
SCHEMBL572738 0.77 ACVR1 (0.66) ACVR1

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 1151/4885STAT6 564/4885CDK4 457/4885

“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.