SCHEMBL1720076

SCHEMBL1720076

O=C(O)c1c(-c2cncnc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.42
IDH1 O75874 2/20 0.41
PPARD Q03181 2/20 0.41

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
SCHEMBL1719856 0.89 CYP11B2 (0.47) ABL1PPARD
SCHEMBL1719337 0.88 ABL1 (0.43) ABL1IDH1PPARD
SCHEMBL1719247 0.88 CYP11B2 (0.46) ABL1PPARD
SCHEMBL1719251 0.88 CYP11B2 (0.46) ABL1PPARD
SCHEMBL1719110 0.86 IDH1 (0.42) ABL1IDH1
SCHEMBL1720034 0.84 IDH1 (0.42) ABL1IDH1
SCHEMBL1719458 0.83 L3MBTL3 (0.39) ABL1
SCHEMBL1719226 0.83 POLB (0.40) IDH1
SCHEMBL1719828 0.82 IDH1 (0.47) IDH1
SCHEMBL1720164 0.82 KDM5A (0.42) IDH1

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
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 ABL1 1679/4885IDH1 1715/4885PPARD 444/4885

“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.