SCHEMBL4508451

SCHEMBL4508451

CN1CCCC(COc2ccc(Nc3ncc(C(N)=O)cn3)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.46
IRAK4 Q9NWZ3 1/20 0.43
CDK2 P24941 2/20 0.42
CCNA2 P20248 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK1 P06493 1/20 0.42
PRKCQ Q04759 7/20 0.41
FGFR1 P11362 3/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SCN9A Q15858 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5686280 0.85 SIK1 (0.46) EGFRPRKCQSCN9A
SCHEMBL4497489 0.81 TSHR (0.41) EGFRCDK2CCNA2CCNA1CDK1
SCHEMBL5686238 0.81 PRKCQ (0.40) EGFRPRKCQKDRSCN9AKCNH2
SCHEMBL4507920 0.79 AXL (0.49) EGFRKDR
SCHEMBL4489929 0.79 AXL (0.57) EGFRIRAK4KDRKCNH2
SCHEMBL4497884 0.79 MAP2K1 (0.50) EGFRIRAK4KCNH2
SCHEMBL5686178 0.79 CSF1R (0.52) EGFRKDR
SCHEMBL4498763 0.79 MAP2K1 (0.50) EGFRIRAK4KCNH2
SCHEMBL4499318 0.78 AXL (0.56) EGFRKDRHRH3
SCHEMBL4494805 0.78 AXL (0.52) EGFRKDRHRH3

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 EGFR 2918/4885IRAK4 438/4885CDK2 951/4885

“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.