SCHEMBL2589896

SCHEMBL2589896

CCCCC1(CCCC)CSc2cc(CO)c(OC)cc2C(c2ccccc2)=N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
SLC10A2 Q12908 5/20 0.31
CHRM1 P11229 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL2585237 0.87 MAPK1 (0.32) MAPK1TDP1CHRM1
SCHEMBL7470085 0.86 SLC10A2 (0.33) MAPK1TDP1SLC10A2CHRM1KDM4E
SCHEMBL7472192 0.86 SLC10A2 (0.33) MAPK1TDP1SLC10A2CHRM1KDM4E
SCHEMBL2590605 0.84 FGFR1 (0.34) MAPK1TDP1FGFR1SRCSLC10A2
SCHEMBL2589232 0.80 SLC10A2 (0.33) FGFR1SLC10A2KDM4EALDH1A1
SCHEMBL2589094 0.80 MAOA (0.37) KDM4E
SCHEMBL19170232 0.79 CDK4 (0.32) SLC10A2
SCHEMBL7463854 0.77 EGFR (0.40) SLC10A2CHRM1KDM4E
SCHEMBL7469254 0.77 EGFR (0.40) SLC10A2CHRM1KDM4E
SCHEMBL17506154 0.77 DRD2 (0.32) SLC10A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563122-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2016-06-08 EP disclosed
EP-2563122-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2016-06-08 EP disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 US disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 US disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 US disclosed
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 US disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 US disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 US disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 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-20130029938-A1 Chemical Compounds CYP11B1, GOT2, CYP11B2 MAPK1 1737/4885TDP1 3688/4885FGFR1 1070/4885

“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.