SCHEMBL4500256

SCHEMBL4500256

Cc1cc(C)c(NC(=O)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
TNK2 Q07912 2/20 0.49
LCK P06239 2/20 0.47
SRC P12931 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MET P08581 7/20 0.46
INSR P06213 1/20 0.44
AXL P30530 1/20 0.44
BTK Q06187 1/20 0.43
TP53 P04637 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.95 KDR (0.50) KDRTNK2LCKSRCMAPK14
SCHEMBL4496395 0.93 TNK2 (0.56) KDRTNK2LCKSRCMAPK14
SCHEMBL4497531 0.93 KDR (0.47) KDRTNK2LCKSRCMAPK14
SCHEMBL4488804 0.89 KDR (0.52) KDRTNK2LCKSRCMAPK14
SCHEMBL5689079 0.88 KDR (0.47) KDRTNK2LCKSRCMAPK14
SCHEMBL5689258 0.87 KDR (0.54) KDRTNK2LCKSRCMAPK14
SCHEMBL5686060 0.87 KDR (0.54) KDRTNK2LCKSRCMAPK14
SCHEMBL4496504 0.87 KDR (0.52) KDRTNK2LCKSRCMAPK14
SCHEMBL5686145 0.86 TNK2 (0.50) KDRTNK2LCKSRCMAPK14
SCHEMBL5686306 0.85 KDR (0.51) 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.