SCHEMBL4492687

SCHEMBL4492687

C[C@H](NC(=O)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.45
TNK2 Q07912 1/20 0.45
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
MAPK14 Q16539 1/20 0.44
MET P08581 10/20 0.44
AXL P30530 2/20 0.44
INSR P06213 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
IGF1R P08069 1/20 0.41
MCHR1 Q99705 1/20 0.41
EGFR P00533 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
SCHEMBL4496624 0.94 KDR (0.44) KDRLCKSRCMAPK14MET
SCHEMBL5686306 0.83 KDR (0.51) KDRTNK2LCKSRCMAPK14
SCHEMBL4488804 0.82 KDR (0.52) KDRTNK2LCKSRCMAPK14
SCHEMBL5689258 0.82 KDR (0.54) KDRTNK2LCKSRCMAPK14
SCHEMBL4496395 0.82 TNK2 (0.56) KDRTNK2LCKSRCMAPK14
SCHEMBL4495092 0.82 AXL (0.51) KDRTNK2LCKSRCMAPK14
SCHEMBL4494805 0.81 AXL (0.52) KDRTNK2LCKSRCMAPK14
SCHEMBL4503371 0.81 AXL (0.49) KDRTNK2LCKSRCMAPK14
SCHEMBL4495283 0.80 KDR (0.41) KDRTNK2LCKSRCMAPK14
SCHEMBL5686060 0.80 KDR (0.54) KDRTNK2LCKSRCMAPK14

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 KDR 3785/4885TNK2 1854/4885LCK 33/4885

“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.