SCHEMBL6493357

SCHEMBL6493357

COCCNCc1c(OC)cc(OC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.48
APLNR P35414 1/20 0.43
PTPN1 P18031 1/20 0.43
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAD52 P43351 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL15865628 0.89 APLNR (0.48) CD274APLNRPTPN1ALDH1A1HTR2A
SCHEMBL28915772 0.85 APLNR (0.57) APLNRPTPN1KDM4EALDH1A1
SCHEMBL14230496 0.82 CD274 (0.53) CD274APLNRPTPN1KDM4E
SCHEMBL21425529 0.79 DHFR (0.37) CD274APLNRPTPN1HTR2AHTR2C
SCHEMBL31114343 0.78 APLNR (0.75) APLNRHTTKDM4EALDH1A1HTR2A
SCHEMBL3188344 0.78 CYP1A2 (0.55) CD274KDM4EALDH1A1
SCHEMBL28155887 0.77 PTPN1 (0.49) CD274APLNRPTPN1KDM4E
SCHEMBL21225382 0.75 APLNR (0.43) CD274APLNRPTPN1
SCHEMBL13814620 0.75 PTPN1 (0.49) CD274APLNRPTPN1ALDH1A1HTR2A
SCHEMBL22634028 0.73 PTPN1 (0.47) APLNRPTPN1ALDH1A1

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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 CD274 3718/4885APLNR 3436/4885PTPN1 265/4885

“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.