SCHEMBL4281980

SCHEMBL4281980

COc1ccc(Cl)cc1-c1cc(N)nc(Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 16/20 0.67
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RECQL P46063 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL13880221 0.81 AGPAT2 (1.00) AGPAT2ALDH1A1KDM4E
SCHEMBL14439012 0.79 AGPAT2 (1.00) AGPAT2ALDH1A1KDM4E
SCHEMBL4280537 0.79 HSP90AA1 (0.71) AGPAT2ALDH1A1KDM4ERECQLHSP90AA1
SCHEMBL5375905 0.79 AGPAT2 (0.67) AGPAT2ALDH1A1KDM4ERECQLHSP90AA1
SCHEMBL1033197 0.77 ALDH1A1 (0.55) AGPAT2ALDH1A1KDM4ERECQL
SCHEMBL5386005 0.76 ALDH1A1 (0.57) AGPAT2ALDH1A1KDM4ERECQLHSP90AA1
SCHEMBL14439011 0.76 AGPAT2 (1.00) AGPAT2ALDH1A1KDM4E
SCHEMBL4281666 0.76 AGPAT2 (0.67) AGPAT2ALDH1A1KDM4ERECQL
SCHEMBL1915457 0.76 ALDH1A1 (1.00) AGPAT2ALDH1A1KDM4ERECQL
SCHEMBL15756953 0.74 AGPAT2 (0.77) AGPAT2ALDH1A1KDM4ERECQLHSP90AA1

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 1326/4885KDM4E 1842/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885ALDH1A1 1116/4885KDM4E 2160/4885

“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.