SCHEMBL4265853

SCHEMBL4265853

COC(=O)OC1CC[CH]CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAAA Q02083 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 2/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 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
SCHEMBL3682781 0.87 EPHX1 (0.37) EPHX1CYP19A1CYP3A4TSHRCYP2C19
SCHEMBL698655 0.84
SCHEMBL305953 0.84 EPHX1 (0.50) EPHX1CYP19A1TSHRCYP2C19NAAA
SCHEMBL10344338 0.84 EPHX1 (0.45) EPHX1CYP19A1TSHRCYP2C19NAAA
SCHEMBL697519 0.84
SCHEMBL1078014 0.84 EPHX1 (0.39) EPHX1CYP19A1TSHRNAAASMN1; SMN2
SCHEMBL11591329 0.82 EPHX1 (0.53) EPHX1CYP19A1TSHRCYP2C19NAAA
SCHEMBL8582705 0.82 EPHX1 (0.53) EPHX1CYP19A1TSHRCYP2C19NAAA
SCHEMBL873000 0.82 EPHX1 (0.53) EPHX1CYP19A1TSHRCYP2C19NAAA
SCHEMBL11589164 0.82 EPHX1 (0.53) EPHX1CYP19A1TSHRCYP2C19NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565475-B1 DIAZINOPYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
EP-1565475-A1 DIAZINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-24 EP disclosed
WO-2004046152-A1 DIAZINOPYRIMIDINES F. HOFFMANN LA ROCHE AG (CH) 2004-06-03 WO disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (2 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-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 EPHX1 1944/4885CYP19A1 2768/4885CYP3A4 2718/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 EPHX1 2400/4885CYP19A1 1939/4885CYP3A4 4702/4885

“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.