SCHEMBL3050820

SCHEMBL3050820

O=Cc1cccc(-c2ccc3c(c2)ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CDK8 P49336 1/20 0.36
AXL P30530 1/20 0.36
BRD4 O60885 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
DYRK1B Q9Y463 2/20 0.34

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
SCHEMBL3044076 0.91 KDR (0.40) FGFR1TRIM24TRIM33KDRNPC1
SCHEMBL3039306 0.90 FGFR1 (0.45) FGFR1TRIM24TRIM33CA12CA1
SCHEMBL6489898 0.87 FGFR1 (0.42) FGFR1NPC1HPGDRAB9AALDH1A1
SCHEMBL3038354 0.82 FGFR1 (0.36) FGFR1KDRNPC1HPGDRAB9A
SCHEMBL3050306 0.82 BRD4 (0.38) FGFR1BRD4KDRNPC1HPGD
SCHEMBL3038570 0.81 FGFR1 (0.39) FGFR1BRD4KDRNPC1ALDH1A1
SCHEMBL6489900 0.79 FGFR1 (0.45) FGFR1NPC1ALDH1A1CYP2A6IP6K1
SCHEMBL13137076 0.77 FGFR1 (0.45) FGFR1TRIM24TRIM33CA12CA1
SCHEMBL3044219 0.76 DRD1 (0.35) FGFR1EGFRIP6K1
SCHEMBL3047005 0.76 ALDH1A1 (0.35) FGFR1BRD4NPC1HPGDRAB9A

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 FGFR1 2658/4885TRIM24 1045/4885TRIM33 1407/4885

“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.