SCHEMBL3048638

SCHEMBL3048638

Cc1cc(-c2ccc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
FGFR1 P11362 2/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DYRK1A Q13627 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
ATM Q13315 3/20 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
SCHEMBL3050306 0.92 BRD4 (0.38) BRD4FGFR1ALDH1A1NPC1RAB9A
SCHEMBL3050515 0.89 FGFR1 (0.36) BRD4FGFR1ALDH1A1NPC1RAB9A
SCHEMBL3044292 0.89 FGFR1 (0.36) BRD4FGFR1ALDH1A1NPC1RAB9A
SCHEMBL3038570 0.86 FGFR1 (0.39) BRD4FGFR1ALDH1A1NPC1KDM4E
SCHEMBL3048869 0.85 BRD4 (0.34) BRD4FGFR1HCAR1ATM
SCHEMBL3039306 0.83 FGFR1 (0.45) BRD4FGFR1ALDH1A1NPC1KDM4E
SCHEMBL3049023 0.82 ACVR1 (0.37) BRD4FGFR1ALDH1A1NPC1RAB9A
SCHEMBL3051824 0.81 FGFR1 (0.33) BRD4FGFR1HCAR1
SCHEMBL6489900 0.79 FGFR1 (0.45) FGFR1ALDH1A1NPC1KDM4EMEN1
SCHEMBL3046537 0.79 FGFR1 (0.34) BRD4FGFR1ALDH1A1KDM4EMAPT

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 2658/4885ALDH1A1 3109/4885

“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.