SCHEMBL4500638

SCHEMBL4500638

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)ncc2C(=O)NCc2ccccn2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
ERBB2 P04626 2/20 0.41
KDR P35968 3/20 0.41
LCK P06239 2/20 0.41
SRC P12931 2/20 0.41
MAPK14 Q16539 1/20 0.41
JAK3 P52333 2/20 0.40
BTK Q06187 1/20 0.40
PDE5A O76074 3/20 0.39
CSF1R P07333 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 4/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL4488077 0.95 KDR (0.41) EGFRKDRLCKSRCMAPK14
SCHEMBL4488610 0.90 KDR (0.39) EGFRERBB2KDRLCKSRC
SCHEMBL4498355 0.89 BTK (0.43) EGFRKDRLCKSRCMAPK14
SCHEMBL4503009 0.87 JAK3 (0.45) EGFRKDRLCKSRCMAPK14
SCHEMBL4493796 0.87 JAK3 (0.43) EGFRERBB2KDRLCKSRC
SCHEMBL4503474 0.86 JAK3 (0.41) EGFRERBB2KDRLCKSRC
SCHEMBL4496586 0.86 SRC (0.46) KDRLCKSRCMAPK14JAK3
SCHEMBL5686051 0.86 CSF1R (0.42) EGFRERBB2KDRLCKSRC
SCHEMBL4505021 0.86 CSF1R (0.42) EGFRERBB2KDRLCKSRC
SCHEMBL4505871 0.85 LCK (0.39) EGFRKDRLCKSRCMAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
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 2918/4885ERBB2 1359/4885KDR 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.