Sugi Predict

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SCHEMBL3050592

SCHEMBL3050592

COc1cc2c(cc1Br)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 6/20 0.47
▸ SRC P12931 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35

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
SCHEMBL3054347 0.95 FGFR1 (0.47) FGFR1SRCALDH1A1HPGDMEN1
SCHEMBL3047128 0.82 NPC1 (0.37) FGFR1SRCALDH1A1HPGDMEN1
SCHEMBL3040073 0.80 NPC1 (0.37) FGFR1SRCALDH1A1HPGDMEN1
SCHEMBL3044462 0.80 PRPS1 (0.33) FGFR1SRCHPGDHCAR1
SCHEMBL3047110 0.79 FGFR1 (0.42) FGFR1SRCALDH1A1HPGDMEN1
SCHEMBL3048529 0.78 POLB (0.35) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL3055002 0.77 PRPS1 (0.33) FGFR1SRCHPGDPDE10AHCAR1
SCHEMBL3044679 0.77 FGFR1 (0.45) FGFR1SRCALDH1A1HPGDMEN1
SCHEMBL3852750 0.76 NPC1 (0.47) FGFR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3044775 0.75 POLB (0.34) ALDH1A1HPGDMEN1KMT2ATSHR

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 5 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
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 — — US disclosed
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 2658/4885SRC 2078/4885ALDH1A1 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.