SCHEMBL4284748

SCHEMBL4284748

Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Cl)ccc2O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 18/20 1.00
NPC1 O15118 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
CDK9 P50750 1/20 0.53

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
SCHEMBL4279367 0.91 AGPAT2 (1.00) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL6640849 0.89 AGPAT2 (0.80) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13880211 0.86 AGPAT2 (1.00) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13880171 0.84 AGPAT2 (1.00) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL4279091 0.84 AGPAT2 (0.85) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13892054 0.81 AGPAT2 (0.89) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13880263 0.81 AGPAT2 (0.75) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13880138 0.80 AGPAT2 (1.00) AGPAT2
SCHEMBL13880351 0.80 AGPAT2 (0.72) AGPAT2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL2410666 0.80 NPC1 (0.77) AGPAT2NPC1CYP1A2CYP3A4CYP2C19

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 100/4885NPC1 1406/4885CYP1A2 4325/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885NPC1 1299/4885CYP1A2 4519/4885

“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.