SCHEMBL3047110

SCHEMBL3047110

COc1cc2c(cc1-c1ccc(C=O)cc1)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.42
SRC P12931 3/20 0.40
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
TTR P02766 1/20 0.36
EGFR P00533 2/20 0.35
KDR P35968 1/20 0.34
PLK1 P53350 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
AGPAT2 O15120 1/20 0.33

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
SCHEMBL3044679 0.96 FGFR1 (0.45) FGFR1SRCDRD2DRD1DRD4
SCHEMBL3044219 0.83 DRD1 (0.35) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3050411 0.83 FGFR1 (0.33) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3047005 0.83 ALDH1A1 (0.35) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3048493 0.82 AKR1C3 (0.41) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3046969 0.81 DRD1 (0.35) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3047157 0.79 AKR1C3 (0.40) FGFR1DRD2DRD1DRD4DRD5
SCHEMBL3038570 0.79 FGFR1 (0.39) FGFR1DRD1KDRATMALDH1A1
SCHEMBL3050592 0.79 FGFR1 (0.47) FGFR1SRCKDRPLK1ALDH1A1
SCHEMBL13136917 0.79 PRNP (0.42) FGFR1SRCDRD2DRD1DRD4

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 FGFR1 2658/4885SRC 2078/4885DRD2 140/4885

“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.