SCHEMBL4277487

SCHEMBL4277487

Nc1nc(Cl)cc(Nc2ccc(CO)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
AGPAT2 O15120 9/20 0.56
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 2/20 0.45
PABPC1 P11940 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
SCHEMBL29609567 0.80 POLA1 (0.67) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL28229117 0.80 POLA1 (0.67) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL3233125 0.80 MAPT (0.70) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL1320467 0.79 KMT2A (0.66) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL4281760 0.79 AGPAT2 (0.79) AGPAT2
SCHEMBL4286763 0.78 AGPAT2 (0.79) AGPAT2CYP2C19NPC1RAB9ACYP1A2
SCHEMBL17815607 0.78 ROCK1 (0.61) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL14450270 0.76 MAPT (0.65) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL2879724 0.76 POLA1 (0.61) POLA1MAPTSMN1; SMN2GAAPOLB
SCHEMBL13288391 0.76 MAPT (1.00) POLA1MAPTSMN1; SMN2GAAPOLB

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 POLA1 507/4885MAPT 3800/4885SMN1; SMN2 4131/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT POLA1 420/4885MAPT 3707/4885SMN1; SMN2 4346/4885

“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.