SCHEMBL3993495

SCHEMBL3993495

Cn1ccc2c(Nc3cccc(Cl)c3)ncc(Br)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2C9 P11712 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ CNR2 P34972 1/20 0.58
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ IGF1R P08069 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL3987463 0.81 CNR2 (0.71) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL3990239 0.80 CNR2 (0.68) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL3987324 0.78 CNR1 (0.66) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
Hydrochloric Acid SCHEMBL3995991 0.77 CNR1 (0.65) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL14041009 0.77 CNR2 (0.67) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL13691825 0.77 CNR2 (0.64) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL3990854 0.77 CNR2 (0.84) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL3990533 0.77 CNR2 (0.64) CYP3A4CYP2C9CYP2C19CYP2D6CNR1
SCHEMBL4741962 0.76 EGFR (0.58) CYP3A4CYP2C9CYP2C19CYP2D6MAPT
Hydrochloric Acid SCHEMBL3992604 0.76 CNR2 (0.63) CYP3A4CYP2C9CYP2C19CYP2D6CNR1

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 CYP3A4 1521/4885CYP2C9 1835/4885CYP2C19 1087/4885

“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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