SCHEMBL4488804

SCHEMBL4488804

O=C(Nc1c(F)cc(F)cc1F)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
AXL P30530 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
INSR P06213 1/20 0.46
TNK2 Q07912 1/20 0.46
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
MAPK14 Q16539 1/20 0.44
EPHX2 P34913 2/20 0.42
MET P08581 4/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
AURKA O14965 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 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
SCHEMBL5686300 0.92 KDR (0.50) KDRAXLHRH3INSRTNK2
SCHEMBL4503003 0.92 MET (0.45) KDRLCKSRCMAPK14MET
SCHEMBL5689258 0.91 KDR (0.54) KDRAXLHRH3INSRTNK2
SCHEMBL5686060 0.89 KDR (0.54) KDRAXLINSRTNK2LCK
SCHEMBL4500256 0.89 KDR (0.50) KDRAXLINSRTNK2LCK
SCHEMBL4496395 0.89 TNK2 (0.56) KDRAXLINSRTNK2LCK
SCHEMBL5686306 0.87 KDR (0.51) KDRAXLHRH3INSRTNK2
SCHEMBL5689079 0.85 KDR (0.47) KDRTNK2LCKSRCMAPK14
SCHEMBL4495092 0.85 AXL (0.51) KDRAXLHRH3INSRTNK2
SCHEMBL5689288 0.85 CSF1R (0.48) KDRLCKSRCMAPK14MET

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 3785/4885AXL 2557/4885HRH3 321/4885

“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.