SCHEMBL4281775

SCHEMBL4281775

COc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(C)n1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 18/20 0.77
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL4286837 0.93 AGPAT2 (0.75) AGPAT2TP53MAPT
SCHEMBL13880144 0.87 AGPAT2 (1.00) AGPAT2
SCHEMBL4279343 0.86 AGPAT2 (0.77) AGPAT2TP53MAPT
SCHEMBL13880323 0.81 AGPAT2 (0.89) AGPAT2
SCHEMBL25039648 0.80 AGPAT2 (0.58) AGPAT2TP53MAPT
SCHEMBL4282928 0.79 AGPAT2 (0.80) AGPAT2MAPT
SCHEMBL5375776 0.79 AGPAT2 (0.80) AGPAT2
SCHEMBL13880138 0.79 AGPAT2 (1.00) AGPAT2
SCHEMBL13880180 0.79 AGPAT2 (0.88) AGPAT2
SCHEMBL21953110 0.79 AGPAT2 (0.59) AGPAT2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 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 100/4885TP53 1143/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885TP53 1268/4885MAPT 3707/4885

“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.