SCHEMBL3050306

SCHEMBL3050306

Cc1cc(-c2ccc3c(c2)ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
FGFR1 P11362 2/20 0.38
KDR P35968 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3048638 0.92 BRD4 (0.43) BRD4FGFR1NPC1RAB9AHPGD
SCHEMBL3044292 0.87 FGFR1 (0.36) BRD4FGFR1NPC1RAB9AHPGD
SCHEMBL3050515 0.87 FGFR1 (0.36) BRD4FGFR1NPC1RAB9AHPGD
SCHEMBL3038354 0.86 FGFR1 (0.36) FGFR1KDRNPC1RAB9AHPGD
SCHEMBL3044076 0.85 KDR (0.40) FGFR1KDRNPC1RAB9AHPGD
SCHEMBL3050820 0.82 FGFR1 (0.42) BRD4FGFR1KDRNPC1RAB9A
SCHEMBL6489898 0.78 FGFR1 (0.42) FGFR1NPC1RAB9AHPGDALDH1A1
SCHEMBL3046537 0.78 FGFR1 (0.34) BRD4FGFR1HPGDALDH1A1LMNA
SCHEMBL3047005 0.78 ALDH1A1 (0.35) BRD4FGFR1NPC1RAB9AHPGD
SCHEMBL3038570 0.78 FGFR1 (0.39) BRD4FGFR1KDRNPC1ALDH1A1

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 2658/4885KDR 1791/4885

“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.