SCHEMBL3987463

SCHEMBL3987463

Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)O)c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.71
▸ CNR1 P21554 2/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ CSNK2A2 P19784 3/20 0.49
▸ CSNK2B P67870 3/20 0.49
▸ CSNK2A1 P68400 3/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3987324 0.89 CNR1 (0.66) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3990239 0.89 CNR2 (0.68) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3996287 0.89 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3995991 0.89 CNR1 (0.65) CNR2CNR1CYP3A4CYP2D6CYP2C9
Decarboxylated Derivative SCHEMBL3996290 0.88 CNR2 (0.60) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3996182 0.88 CNR2 (0.60) CNR2CNR1CYP3A4CYP2D6CYP2C9
Decarboxylated Derivative SCHEMBL3996183 0.87 CNR2 (0.59) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3992693 0.87 CNR2 (0.56) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3988988 0.86 CNR2 (0.55) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3990533 0.86 CNR2 (0.64) CNR2CNR1CYP3A4CYP2D6CYP2C9

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 10 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
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
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
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
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US 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 CNR2 1/4885CNR1 2/4885CYP3A4 1521/4885

“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.

Send feedback