SCHEMBL3048869

SCHEMBL3048869

O=Cc1ccc(-c2ccc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
FGFR1 P11362 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
RORC P51449 1/20 0.33
CHRM1 P11229 1/20 0.33
KIF11 P52732 1/20 0.33
GRIN2B Q13224 2/20 0.32
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL3038354 0.92 FGFR1 (0.36) FGFR1PIK3CDABL1EGFRHCK
SCHEMBL3038570 0.86 FGFR1 (0.39) BRD4FGFR1KDRATMKIF11
SCHEMBL3051824 0.86 FGFR1 (0.33) BRD4FGFR1RORCHCAR1POLB
SCHEMBL3048638 0.85 BRD4 (0.43) BRD4FGFR1ATMHCAR1
SCHEMBL3039306 0.83 FGFR1 (0.45) BRD4FGFR1EGFRPOLB
SCHEMBL3049023 0.82 ACVR1 (0.37) BRD4FGFR1PRKDCERN1
SCHEMBL3050824 0.80 ALOX5AP (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL6489900 0.79 FGFR1 (0.45) FGFR1POLB
SCHEMBL3044219 0.79 DRD1 (0.35) FGFR1EGFRKIF11HCAR1
SCHEMBL3046969 0.79 DRD1 (0.35) FGFR1EGFRKIF11HCAR1

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 3 patents. 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
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 BRD4 1419/4885FGFR1 2658/4885PIK3CD 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.