SCHEMBL4852767

SCHEMBL4852767

COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2C=CCO)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
PTPN1 P18031 2/20 0.39
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.37
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
PTPN2 P17706 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL4852752 1.00 KDR (0.40) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4846076 0.91 PTPN1 (0.42) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4849246 0.91 PTPN1 (0.42) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4847710 0.91 PTPN1 (0.41) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4850444 0.89 KDR (0.44) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4853207 0.87 PPARG (0.48) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4852785 0.86 PTPN1 (0.38) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4852795 0.86 PTPN1 (0.38) KDRPTPN1PPARGPPARACYP2C9
SCHEMBL4855169 0.84 PPARG (0.43) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4852798 0.84 PSEN1 (0.39) PTPN1PPARGPPARACYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDR 2335/4885PTPN1 1274/4885PPARG 536/4885

“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.