SCHEMBL3050824

SCHEMBL3050824

Cc1c(-c2ccc(C=O)c(F)c2)ccc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
DHODH Q02127 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30
ERN1 O75460 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
SCHEMBL3044843 0.88 EIF4E (0.31) HCAR1
SCHEMBL3038354 0.82 FGFR1 (0.36) ALOX5APFEN1PIK3CDABL1EGFR
SCHEMBL3048869 0.80 BRD4 (0.34) PIK3CDABL1EGFRHCKSRC
SCHEMBL13136915 0.80 DPP4 (0.36) ALOX5APFEN1PIK3CDABL1EGFR
SCHEMBL3046838 0.77 DPP4 (0.34)
SCHEMBL3051824 0.76 FGFR1 (0.33) ALOX5APFEN1HCAR1
SCHEMBL3050306 0.73 BRD4 (0.38) KDRHCAR1
SCHEMBL3049023 0.73 ACVR1 (0.37) PRKDCERN1
SCHEMBL3050515 0.72 FGFR1 (0.36) HCAR1
SCHEMBL3044292 0.72 FGFR1 (0.36) HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 ALOX5AP 964/4885FEN1 4876/4885PIK3CD 3433/4885

“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.