SCHEMBL4503371

SCHEMBL4503371

O=C(NCc1ccccn1)c1cnc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.49
MET P08581 9/20 0.45
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
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 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
SCHEMBL4508884 0.93 KDR (0.45) AXLMETKDRLCKSRC
SCHEMBL4506601 0.86 AXL (0.44) AXLMETKDRTNK2LCK
SCHEMBL5686306 0.83 KDR (0.51) AXLMETKDRTNK2LCK
SCHEMBL5689258 0.82 KDR (0.54) AXLMETKDRTNK2LCK
SCHEMBL4495092 0.82 AXL (0.51) AXLMETKDRTNK2LCK
SCHEMBL4494805 0.81 AXL (0.52) AXLMETKDRTNK2LCK
SCHEMBL4488804 0.81 KDR (0.52) AXLMETKDRTNK2LCK
SCHEMBL4492687 0.81 KDR (0.45) AXLMETKDRTNK2LCK
SCHEMBL4496395 0.80 TNK2 (0.56) AXLMETKDRTNK2LCK
SCHEMBL5686060 0.80 KDR (0.54) AXLMETKDRTNK2LCK

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 AXL 2557/4885MET 2515/4885KDR 3785/4885

“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.