SCHEMBL3989173

SCHEMBL3989173

Cn1ccc2c(Nc3ccc(Cl)c(Cl)c3)ncc(C(=O)N3CCOCC3)c21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.78
CNR1 P21554 6/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 2/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.44
PTK6 Q13882 1/20 0.44
AURKB Q96GD4 1/20 0.44
PKM P14618 1/20 0.43
LRRK2 Q5S007 2/20 0.43
JAK2 O60674 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
Hydrochloric Acid SCHEMBL3987743 0.99 CNR2 (0.77) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13691946 0.94 CNR2 (0.77) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13691914 0.93 CNR2 (0.76) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3990709 0.93 CNR2 (0.76) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3991457 0.92 CNR2 (0.75) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3991817 0.92 CNR2 (0.75) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13691903 0.92 CNR1 (0.77) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13692157 0.91 CNR2 (0.65) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3992692 0.91 CNR1 (0.76) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3996404 0.91 CNR2 (0.73) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US claimed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 EP claimed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US claimed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 EP claimed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 WO claimed
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
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.