SCHEMBL8698248

SCHEMBL8698248

Cc1cn(-c2ccc(CO)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ VHL P40337 1/20 0.48
▸ ELOC Q15369 1/20 0.48
▸ ELOB Q15370 1/20 0.48
▸ CYP2E1 P05181 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ WNT3A P56704 2/20 0.44
▸ EP300 Q09472 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ NR2E1 Q9Y466 3/20 0.39

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
SCHEMBL27985278 0.84 CYP1A2 (0.65) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10280811 0.84 CYP1A2 (0.61) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL16597413 0.82 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL15729562 0.82 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL17091355 0.81 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL30773841 0.80 VHL (0.50) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL12988609 0.79 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2285981 0.79 CYP1A2 (0.59) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL25192825 0.79 VHL (0.48) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL24135102 0.78 EGLN2 (0.44) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 — — CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 — — EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 — — EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-9732086-B2 — — 2017-08-15 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 — — WO disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 — — WO disclosed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 — — US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 — — EP 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-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CYP3A4 2625/4885CYP1A2 2190/4885CYP2D6 3400/4885

“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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