SCHEMBL2585237

SCHEMBL2585237

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM1 P11229 1/20 0.32
MAPK10 P53779 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HTR2A P28223 1/20 0.30
PTPN1 P18031 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
SCHEMBL7470085 0.88 SLC10A2 (0.33) MAPK1TDP1CHRM1MAPK10
SCHEMBL7472192 0.88 SLC10A2 (0.33) MAPK1TDP1CHRM1MAPK10
SCHEMBL2589896 0.87 MAPK1 (0.35) MAPK1TDP1CHRM1
SCHEMBL2590605 0.84 FGFR1 (0.34) MAPK1TDP1MAPT
SCHEMBL2589232 0.82 SLC10A2 (0.33) MAPT
SCHEMBL2589094 0.82 MAOA (0.37)
SCHEMBL19170232 0.82 CDK4 (0.32) MAPK10
SCHEMBL7469254 0.79 EGFR (0.40) CHRM1MAPTPTPN1
SCHEMBL7463854 0.79 EGFR (0.40) CHRM1MAPTPTPN1
SCHEMBL17506155 0.79 DRD2 (0.32)

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 3688/4885CHRM1 1368/4885

“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.