Sugi Predict

Sugi Predict / Compounds / SCHEMBL2829475

SCHEMBL2829475

SCHEMBL2829475

CCc1cccc(C(N)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.54
▸ MBOAT4 Q96T53 1/20 0.46
▸ PIM1 P11309 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL3935225 0.85 MBOAT4 (0.47) PARP1MBOAT4PIM1CYP1A2BRD4
SCHEMBL2891884 0.82 PIM1 (0.44) PARP1MBOAT4PIM1CYP1A2BRD4
SCHEMBL30487682 0.82 PIM1 (0.44) PARP1MBOAT4PIM1CYP1A2BRD4
SCHEMBL2829094 0.82 PIM1 (0.44) PARP1MBOAT4PIM1BRD4HRH4
SCHEMBL12432224 0.82 IRAK4 (0.49) PARP1CYP1A2BRD4P2RX7NPSR1
SCHEMBL15102639 0.82 GRIN2D (0.44) PARP1CYP1A2BRD4HRH4GRIN2D
SCHEMBL979568 0.82 KDM4E (0.61) PARP1CYP1A2BRD4KDM4EALOX15
SCHEMBL2929438 0.82 KCNH2 (0.53) PARP1MBOAT4PIM1CYP1A2BRD4
SCHEMBL18245756 0.81 P2RX7 (0.64) PARP1CYP1A2BRD4P2RX7NPSR1
SCHEMBL2824742 0.81 PIM1 (0.43) MBOAT4PIM1BRD4HRH4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 — — EP claimed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 — — WO claimed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 — — EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US claimed
US-7482341-B2 N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-01-27 — — US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP claimed
JP-2008515826-A — — 2008-05-15 — — JP claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 — — EP claimed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 — — WO claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 — — US claimed
WO-2006037501-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 — — WO claimed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 — — US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 — — US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 — — US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 — — US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 — — EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 — — US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885MBOAT4 951/4885PIM1 4767/4885
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD11B2 PARP1 2638/4885MBOAT4 987/4885PIM1 3477/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 PARP1 4842/4885MBOAT4 1033/4885PIM1 3908/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK PARP1 545/4885MBOAT4 4652/4885PIM1 352/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885MBOAT4 951/4885PIM1 4767/4885

“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.