SCHEMBL4496774

SCHEMBL4496774

NC(=O)c1cnc(Nc2ccc(OCCCn3ccnc3)c(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
ITK Q08881 1/20 0.49
TBXAS1 P24557 4/20 0.47
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.43
QPCT Q16769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL4497849 0.97 EGFR (0.46) EGFRITKTBXAS1KDM4EMEN1
SCHEMBL4482143 0.83 EGFR (0.49) EGFRITKMEN1KMT2AALDH1A1
SCHEMBL4494805 0.82 AXL (0.52) EGFRKDM4EALDH1A1
SCHEMBL4495092 0.82 AXL (0.51) EGFR
SCHEMBL4482145 0.81 EGFR (0.49) EGFRITKTBXAS1MEN1KMT2A
SCHEMBL5686178 0.81 CSF1R (0.52) EGFR
SCHEMBL4494947 0.80 INSR (0.54) EGFRITKKDM4E
SCHEMBL4495452 0.79 EGFR (0.48) EGFRITK
SCHEMBL4489929 0.79 AXL (0.57) EGFR
SCHEMBL4499318 0.78 AXL (0.56) EGFR

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 2918/4885ITK 3373/4885TBXAS1 324/4885

“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.