SCHEMBL4848645

SCHEMBL4848645

Cc1oc(-c2ccccc2)nc1COc1cccc(COc2nn(Cc3ccccc3)cc2C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
PPARG P37231 16/20 0.47
PPARA Q07869 16/20 0.47
FFAR1 O14842 1/20 0.45
CYP2C9 P11712 2/20 0.44
KCNH2 Q12809 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL4851654 0.91 FFAR1 (0.53) KDRPPARGPPARAFFAR1PTPN2
SCHEMBL5377170 0.91 FFAR1 (0.54) KDRPPARGPPARAFFAR1PTPN2
SCHEMBL4848574 0.90 KDR (0.45) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL5380734 0.89 FFAR1 (0.49) KDRPPARGPPARAFFAR1
SCHEMBL4850706 0.87 KDR (0.42) KDRPPARGPPARAFFAR1PTPN2
SCHEMBL4855367 0.85 KDR (0.67) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4847694 0.84 KDR (0.57) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4851874 0.81 FFAR1 (0.41) KDRPPARGPPARAFFAR1PTPN2
SCHEMBL6591750 0.81 FFAR1 (0.55) KDRPPARGPPARAFFAR1
SCHEMBL6591759 0.81 FFAR1 (0.55) KDRPPARGPPARAFFAR1

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 2335/4885PPARG 536/4885PPARA 519/4885

“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.