SCHEMBL4281666

SCHEMBL4281666

COc1ccc(Cl)cc1-c1nc(N)cc(Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 13/20 0.67
▸ RECQL P46063 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HRH4 Q9H3N8 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL4279053 0.89 RECQL (0.60) AGPAT2RECQLALDH1A1MEN1LMNA
SCHEMBL9566471 0.83 RECQL (0.78) AGPAT2RECQLALDH1A1MEN1LMNA
SCHEMBL4277512 0.77 AGPAT2 (1.00) AGPAT2RECQLALDH1A1MEN1KMT2A
SCHEMBL4282014 0.76 RECQL (0.57) AGPAT2RECQLALDH1A1MEN1LMNA
SCHEMBL4281980 0.76 AGPAT2 (0.67) AGPAT2RECQLALDH1A1KDM4E
SCHEMBL4280537 0.76 HSP90AA1 (0.71) AGPAT2RECQLALDH1A1KDM4E
SCHEMBL5375905 0.76 AGPAT2 (0.67) AGPAT2RECQLALDH1A1MEN1LMNA
SCHEMBL5305206 0.75 PTGS2 (0.53) AGPAT2ALDH1A1MEN1LMNAKMT2A
SCHEMBL7699644 0.74 ALDH1A1 (0.56) AGPAT2RECQLALDH1A1MEN1LMNA
SCHEMBL5386005 0.73 ALDH1A1 (0.57) AGPAT2RECQLALDH1A1MEN1KMT2A

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 100/4885RECQL 1820/4885ALDH1A1 1326/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885RECQL 2213/4885ALDH1A1 1116/4885

“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.

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