Sugi Predict

Sugi Predict / Compounds / SCHEMBL2703201

SCHEMBL2703201

SCHEMBL2703201

Nc1ncc(Br)nc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ADORA2A P29274 4/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MAP4K4 O95819 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ ATR Q13535 2/20 0.37

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
SCHEMBL12488659 0.85 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C19KDM4EHTT
SCHEMBL20371190 0.81 ABL1 (0.46) ADORA1CYP1A2CYP3A4KDM4EHTT
SCHEMBL2702913 0.81 RAB9A (0.49) ADORA1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL2935581 0.81 USP7 (0.47) ADORA1ADORA2ARAB9A
SCHEMBL1369224 0.81 CSNK1A1 (0.46) ADORA1CYP1A2CYP3A4KDM4EHPGD
SCHEMBL29892848 0.81 KCNH2 (0.46) DPP4MAP4K4MYCWDR5
SCHEMBL3815741 0.81 KCNH2 (0.46) DPP4MAP4K4MYCWDR5
SCHEMBL22820591 0.79 ADORA2A (0.44) ADORA1ADORA2AMAPK14ADORA2BATR
SCHEMBL32688631 0.79 ADORA2A (0.44) ADORA1ADORA2AMAPK14ADORA2BATR
SCHEMBL30175968 0.78 VRK1 (0.38) HTTALDH1A1MAP4K4ATRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074096-B1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-06-27 — — EP disclosed
US-8188093-B2 Pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 — — EP disclosed
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents ANDJELKOVIC MIRJANA 2010-10-21 — — US disclosed
US-7812028-B2 3-pyridinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2010-10-12 — — US disclosed
EP-2076499-B1 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 — — EP disclosed
US-7691863-B2 Pyrazine-2-carboxamide derivatives as CB2 receptor modulators HOFFMAN-LA ROCHE INC. (US) 2010-04-06 — — US disclosed
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 — — US disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 — — EP disclosed
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 — — EP disclosed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 — — EP disclosed
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS ANDJELKOVIC MIRJANA 2009-06-04 — — US disclosed
EP-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 — — EP disclosed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — US disclosed
US-20080085905-A1 Pyrazine-2-carboxamide derivatives F. HOFFMAN-LA ROCHE AG (CH) 2008-04-10 — — US disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — WO disclosed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — WO disclosed
WO-2007147746-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 — — WO disclosed
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-12-20 — — US 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 (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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR ADORA1 358/4885CYP1A2 494/4885CYP3A4 660/4885
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 ADORA1 122/4885CYP1A2 529/4885CYP3A4 1563/4885
US-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 ADORA1 165/4885CYP1A2 287/4885CYP3A4 554/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR ADORA1 358/4885CYP1A2 494/4885CYP3A4 660/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR ADORA1 358/4885CYP1A2 494/4885CYP3A4 660/4885

“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.