SCHEMBL13891446

SCHEMBL13891446

O=C1Nc2ccc(F)cc2CC1NC(=O)C1Cc2cc(Cl)ncc2N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 7/20 0.39
▸ PYGM P11217 5/20 0.39
▸ F11 P03951 1/20 0.35
▸ RIPK1 Q13546 6/20 0.33
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ TRPM5 Q9NZQ8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ DGAT2 Q96PD7 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
SCHEMBL13891413 0.88 PYGL (0.52) PYGLPYGMF11RIPK1GAA
SCHEMBL4063960 0.76 PYGL (0.57) PYGLPYGM
SCHEMBL13878918 0.76 PYGL (0.57) PYGLPYGM
SCHEMBL14641138 0.74 PYGL (0.57) PYGLPYGMF11RIPK1GAA
SCHEMBL4066845 0.71 GAA (0.45) PYGLPYGMRIPK1GAA
SCHEMBL13878893 0.71 GAA (0.45) PYGLPYGMRIPK1GAA
SCHEMBL10233313 0.69 GAA (0.49) GAA
SCHEMBL13891430 0.69 PYGL (0.50) PYGLPYGMF11RIPK1GAA
SCHEMBL13271669 0.69 PYGL (0.34) PYGLGAA
SCHEMBL2608542 0.69 AVPR1A (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 — — 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 (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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 PYGL 104/4885PYGM 229/4885F11 3189/4885

“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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