SCHEMBL3049023

SCHEMBL3049023

O=Cc1ccc(-c2ccc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.37
FGFR1 P11362 2/20 0.33
PRKCI P41743 3/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
RECQL P46063 1/20 0.31
PRKDC P78527 1/20 0.31
PIK3R2 O00459 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
SCHEMBL3051824 0.87 FGFR1 (0.33) FGFR1BRD4PIK3R2
SCHEMBL3038570 0.83 FGFR1 (0.39) FGFR1KDM4ENPC1KMT2AMEN1
SCHEMBL3048869 0.82 BRD4 (0.34) FGFR1ERN1BRD4PRKDC
SCHEMBL3048638 0.82 BRD4 (0.43) FGFR1KDM4ERAB9ANPC1KMT2A
SCHEMBL3039306 0.80 FGFR1 (0.45) FGFR1KDM4ENPC1KMT2AMEN1
SCHEMBL13137087 0.79 PRKCI (0.52) ACVR1PRKCIBRD4ALDH1A1
SCHEMBL6489900 0.78 FGFR1 (0.45) FGFR1KDM4ENPC1KMT2AMEN1
SCHEMBL3044292 0.78 FGFR1 (0.36) FGFR1KDM4ERAB9ANPC1NPSR1
SCHEMBL3050515 0.78 FGFR1 (0.36) FGFR1KDM4ERAB9ANPC1NPSR1
SCHEMBL3046537 0.76 FGFR1 (0.34) FGFR1KDM4EKMT2AMEN1NPSR1

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 ACVR1 925/4885FGFR1 2658/4885PRKCI 3072/4885

“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.