SCHEMBL3991061

SCHEMBL3991061

NC(=O)n1ccc2c(C(=O)OCC3CCC3)cnc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.38
▸ PDE1C Q14123 1/20 0.36
▸ PARP15 Q460N3 2/20 0.35
▸ PARP10 Q53GL7 2/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ ADORA1 P30542 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL3993460 0.81 CNR2 (0.42) CNR2
SCHEMBL3990759 0.79 ALDH1A1 (0.42) JMJD6
Hydrochloric Acid SCHEMBL3996591 0.74 HTR4 (0.35) JMJD6PDE1CACHEHTR4CHRNB2
SCHEMBL2370225 0.70 PARP1 (0.40) —
SCHEMBL2369513 0.69 PARP1 (0.36) —
SCHEMBL4882771 0.61 PARP15 (0.41) JMJD6PDE1CPARP15PARP10PARP2
SCHEMBL5592954 0.61 JMJD6 (0.44) JMJD6PDE1CPARP15PARP10
SCHEMBL3988800 0.61 KMT2A (0.44) —
SCHEMBL9002096 0.61 CHRNB4 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL30409769 0.59 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 — — EP disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US disclosed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 — — EP disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 — — WO 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-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 JMJD6 2427/4885PDE1C 1339/4885PARP15 244/4885

“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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