SCHEMBL4288295

SCHEMBL4288295

CCOc1ccc(Cl)cc1-c1cc(Cl)nc(NC)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 17/20 0.54
ALDH1A1 P00352 1/20 0.44
DHFR P00374 1/20 0.42

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
SCHEMBL4286869 0.81 AGPAT2 (0.70) AGPAT2DHFR
SCHEMBL4288293 0.79 AGPAT2 (0.54) AGPAT2ALDH1A1DHFR
SCHEMBL4280148 0.79 AGPAT2 (0.76) AGPAT2
SCHEMBL4287051 0.77 AGPAT2 (0.61) AGPAT2
SCHEMBL4287063 0.77 AGPAT2 (0.61) AGPAT2
SCHEMBL4287056 0.76 AGPAT2 (0.58) AGPAT2
SCHEMBL9911730 0.70 AGPAT2 (1.00) AGPAT2
SCHEMBL4357684 0.70 AGPAT2 (0.59) AGPAT2ALDH1A1DHFR
SCHEMBL4282359 0.68 AGPAT2 (0.54) AGPAT2
SCHEMBL4282695 0.68 AGPAT2 (0.67) AGPAT2DHFR

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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT AGPAT2 100/4885ALDH1A1 1326/4885DHFR 96/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885ALDH1A1 1116/4885DHFR 133/4885

“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.