SCHEMBL4285023

SCHEMBL4285023

NC1=NC(c2cc(Cl)cc(Cl)c2Cl)=CC(N)(c2ccc(Cl)cc2)N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.33
SCN9A Q15858 3/20 0.30
SCN3A Q9NY46 3/20 0.30
SCN10A Q9Y5Y9 3/20 0.30
SCN1A P35498 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL4282211 0.91 HTR6 (0.32) SCN2A
SCHEMBL4280064 0.87 HTR2B (0.38)
SCHEMBL4285201 0.80 HTR2B (0.35)
SCHEMBL4287050 0.78 AGPAT2 (0.33)
SCHEMBL4280084 0.76 CYP1A2 (0.35) SCN2A
SCHEMBL4291037 0.76 AGPAT2 (0.44)
SCHEMBL4282527 0.74 HSP90AA1 (0.34)
SCHEMBL4281460 0.74 TMPRSS4 (0.34)
SCHEMBL4284234 0.74 AGPAT2 (0.34)
SCHEMBL4278355 0.73 AGPAT2 (0.46)

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 4 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-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 SCN2A 4869/4885SCN9A 4847/4885SCN3A 4873/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT SCN2A 4819/4885SCN9A 4749/4885SCN3A 4851/4885

“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.