SCHEMBL3993168

SCHEMBL3993168

COC(=O)c1cnc(Cl)c2ccn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ATR Q13535 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30366858 0.84 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CNR1CYP2C19
SCHEMBL3990597 0.84 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CNR1CYP2C19
SCHEMBL30366512 0.82 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9CNR1CYP2C19
SCHEMBL17546011 0.77 MGLL (0.44) NR4A2BRD4KDM4EALDH1A1
SCHEMBL3990376 0.77 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CNR1CYP2C19
SCHEMBL16336317 0.76 HSP90B1 (0.45) MAPTABL1GAA
SCHEMBL29709454 0.76 HSP90B1 (0.45) MAPTABL1GAA
SCHEMBL3990239 0.76 CNR2 (0.68) CYP3A4CYP2D6CYP2C9CNR1CYP2C19
SCHEMBL3990861 0.76 KDM4E (0.39) NR4A2KDM4EALDH1A1MAPTABL1
SCHEMBL3988996 0.76 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CNR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894481-A Nitrogen-containing heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-04-04 — — CN 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
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-2007017264-A2 PYRROLOPYRIDINEDERIVATIVES AS MODULATORS OF THE CANNABINOID RECEPTOR FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-15 — — WO disclosed
WO-2007017264-A2 PYRROLOPYRIDINEDERIVATIVES AS MODULATORS OF THE CANNABINOID RECEPTOR FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-15 — — WO 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 NR4A2 750/4885CYP3A4 1521/4885CYP2D6 1026/4885

“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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