SCHEMBL14480232

SCHEMBL14480232

O=C(NCc1cccnc1)C1(n2cnn(Cc3ccc(F)cc3)c2=O)C=CNN1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.54
▸ GAA P10253 1/20 0.46
▸ NAMPT P43490 4/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.39

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
SCHEMBL27878893 0.75 SCD (0.44) SCDGAA
SCHEMBL14480159 0.73 SCD (0.62) SCDGAAHTT
SCHEMBL12717805 0.71 SCD (0.62) SCDGAAHTT
SCHEMBL245328 0.70 SCD (1.00) SCD
SCHEMBL14047402 0.68 SCD (0.62) SCDGAA
SCHEMBL245376 0.68 SCD (0.77) SCD
SCHEMBL1576950 0.66 SCD (0.61) SCDGAALMNA
SCHEMBL20379731 0.66 NAMPT (0.84) NAMPTLMNA
SCHEMBL29460250 0.65 FES (0.81) NAMPT
SCHEMBL9130703 0.65 FES (0.81) NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
CN-102574841-A Pyrazole derivatives which modulate stearoyl-coa desaturase NOVARTIS AG 2012-07-11 — — CN 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 (1 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-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SCD 1/4885GAA 1310/4885NAMPT 357/4885

“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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