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SCHEMBL2701893

SCHEMBL2701893

COC(=O)c1cnc(N)c(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ NEK2 P51955 1/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41

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
SCHEMBL2702037 0.86 KDM4E (0.48) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL3819653 0.85 KCNH2 (0.47) LMNAMAPTNEK2
SCHEMBL3813900 0.84 JAK2 (0.46) MAPTNPC1RAB9AL3MBTL1
SCHEMBL2704105 0.83 MAPT (0.46) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL24994723 0.83 ALDH1A1 (0.48) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30406302 0.77 MAPT (0.54) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL25246683 0.77 MAPT (0.54) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL14889591 0.76 ATR (0.46) SLC6A3ALDH1A1ATRGABRA5HPGD
SCHEMBL2702605 0.76 CNR1 (0.46) MAPTALDH1A1HPGD
SCHEMBL4928363 0.76 ATR (0.63) NPC1RAB9ACASP3SMN1; SMN2SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522644-B Pyrazine-2-carboxamide derivatives as cb2 receptor modulators HOFFMANN LA ROCHE 2013-04-24 — — CN disclosed
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
CN-101522644-A Pyrazine-2-carboxamide derivatives as cb2 receptor modulators HOFFMANN LA ROCHE (CH) 2009-09-02 — — CN 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 LMNA 881/4885MAPT 4139/4885NPC1 16/4885
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 LMNA 4258/4885MAPT 4479/4885NPC1 592/4885
US-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 LMNA 4108/4885MAPT 3285/4885NPC1 1016/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR LMNA 881/4885MAPT 4139/4885NPC1 16/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR LMNA 881/4885MAPT 4139/4885NPC1 16/4885

“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.