SCHEMBL2608542

SCHEMBL2608542

O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC1)C1Cc2cc(Cl)ncc2N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 12/20 0.44
▸ OXTR P30559 1/20 0.44
▸ RAB9A P51151 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TAOK1 Q7L7X3 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13271500 0.83 PYGL (0.41) —
SCHEMBL14144445 0.81 KDM4E (0.36) AVPR1AOXTRKMT2AMEN1
SCHEMBL13271677 0.80 MC4R (0.44) —
SCHEMBL13271644 0.79 PYGL (0.41) —
SCHEMBL14143435 0.78 GPR132 (0.39) —
SCHEMBL13271678 0.76 CYP51A1 (0.48) —
SCHEMBL14144446 0.76 MC4R (0.41) KMT2AMEN1
SCHEMBL2109016 0.74 PYGL (0.53) AVPR1AOXTR
SCHEMBL2606797 0.74 PYGL (0.53) AVPR1AOXTR
SCHEMBL13271681 0.72 ACE (0.41) ALDH1A1KMT2AWDR5

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-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 — — US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 — — 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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB AVPR1A 4106/4885OXTR 4601/4885RAB9A 4373/4885

“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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