Sugi Predict

Sugi Predict / Compounds / SCHEMBL441931

SCHEMBL441931

SCHEMBL441931

COC(=O)c1cnc(Br)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ SLC6A3 Q01959 3/20 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
SCHEMBL2704105 0.86 MAPT (0.46) CNR1SMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL14889559 0.84 SLC6A3 (0.44) CNR1L3MBTL1MRGPRX4SLC6A3GABRA5
SCHEMBL2702037 0.83 KDM4E (0.48) CNR1SMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL3817268 0.83 LMNA (0.43) MAPTLMNA
SCHEMBL2113992 0.82 CNR1 (0.51) CNR1SMN1; SMN2ALDH1A1MRGPRX4CSNK2A2
SCHEMBL3817769 0.82 MEN1 (0.44) CNR1L3MBTL1NPC1RAB9AMRGPRX4
SCHEMBL3815793 0.78 CNR1 (0.48) CNR1SMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL3247114 0.77 MAPK1 (0.42) SMN1; SMN2L3MBTL1MAPTNPC1NFKB1
SCHEMBL2114314 0.76 CNR1 (0.44) CNR1SMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL3817793 0.76 CNR1 (0.54) CNR1MAPTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 — — EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 — — EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 — — US disclosed
EP-2651895-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 — — EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 — — EP disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
CN-101522626-A 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE (CH) 2009-09-02 — — CN disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 — — 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
CN-101460468-A 2-pyrazinecarboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-06-17 — — CN 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
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
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — US 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 (4 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885SMN1; SMN2 4004/4885L3MBTL1 586/4885
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR CNR1 69/4885SMN1; SMN2 3470/4885L3MBTL1 2033/4885
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 CNR1 1/4885SMN1; SMN2 4095/4885L3MBTL1 4069/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR CNR1 69/4885SMN1; SMN2 3470/4885L3MBTL1 2033/4885

“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.