Sugi Predict

Sugi Predict / Compounds / SCHEMBL971386

SCHEMBL971386

SCHEMBL971386

NC(=O)n1cc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ PARP1 P09874 5/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ PARP3 Q9Y6F1 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL475037 0.82 HDAC8 (0.43) HDAC8PARP1PARP2PARP3SMN1; SMN2
Hydrochloric Acid SCHEMBL9124572 0.81 NOS1 (0.40) IKBKBHDAC8MAPTMEN1NPC1
SCHEMBL6337523 0.81 HDAC8 (0.39) HDAC8SMN1; SMN2ALDH1A1MAPTMGAM
SCHEMBL27769472 0.77 L3MBTL1 (0.44) HDAC8SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL6027073 0.74 KMT2A (0.43) SMN1; SMN2ALDH1A1GAAMEN1NPC1
SCHEMBL5494042 0.73 HDAC8 (0.40) IKBKBHDAC8PARP1PARP2PARP3
SCHEMBL17999564 0.73 PARP1 (0.41) IKBKBHDAC8PARP1SMN1; SMN2ALDH1A1
SCHEMBL6891951 0.73 MEN1 (0.43) ALDH1A1MAPTGAAMEN1NPC1
SCHEMBL20765106 0.70 LMNA (0.46) HDAC8PARP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL27805790 0.70 MAPT (0.41) HDAC8SMN1; SMN2ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074801-A Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2017-08-18 — — CN claimed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 — — EP claimed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 — — WO claimed
CN-107074801-A Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2017-08-18 — — CN disclosed
EP-3097089-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS AbbVie Inc. (US) 2016-11-30 — — EP disclosed
WO-2015112792-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS ABBVIE INC. (US) 2015-07-30 — — WO disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 — — EP disclosed
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 — — US disclosed
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 — — US disclosed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 — — US disclosed
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 — — EP disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 — — US disclosed
CN-101312969-A Azaindole-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2008-11-26 — — CN disclosed
CN-101312969-A Azaindole-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2008-11-26 — — CN disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 — — EP disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 — — WO disclosed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 — — EP disclosed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 — — WO disclosed
EP-0362216-A1 INSECTICIDAL SUBSTITUTED INDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-11 — — EP disclosed
WO-1988007994-A1 INSECTICIDAL SUBSTITUTED INDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-20 — — 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 (2 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-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 SCN4A 1356/4885IKBKB 2692/4885HDAC8 90/4885
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 SCN4A 493/4885IKBKB 1633/4885HDAC8 84/4885

“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.