SCHEMBL4491809

SCHEMBL4491809

C=CCc1c(Cl)ncnc1N(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.32
KDR P35968 4/20 0.31
FFAR1 O14842 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAP2K1 Q02750 1/20 0.30
RXRA P19793 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4172027 0.86 AAK1 (0.33) EGFRKDRKDM4EHSD17B10
SCHEMBL4502806 0.85 MAP2K1 (0.33) MAP2K1
SCHEMBL4172029 0.81 RXRA (0.32) RXRA
SCHEMBL3930866 0.74
SCHEMBL3929097 0.69 AAK1 (0.32)
SCHEMBL4491507 0.69 EGFR (0.47) EGFRKDR
SCHEMBL4162417 0.67
SCHEMBL1350377 0.63 ALDH1A1 (0.36) FFAR1SMN1; SMN2
SCHEMBL4494330 0.60 MEN1 (0.44) EGFRKDRNPC1HPGDRXRA
SCHEMBL17420936 0.60 SIRT2 (0.48) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 US 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 EGFR 3991/4885KDR 3055/4885FFAR1 429/4885

“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.