SCHEMBL2703112

SCHEMBL2703112

Cc1cnc(Oc2ccccc2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 1/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20551092 0.81 CYP1A2 (0.57) HTTCYP1A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL21190857 0.79 MAOB (0.43) LMNAHTTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL16248223 0.79 MAPK8 (0.36) LMNAHTTCYP1A2CYP2C19CYP2C9
SCHEMBL15257360 0.77 L3MBTL1 (0.47) LMNAHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL1845695 0.74 SLC13A5 (0.37) LMNACYP1A2CYP2C9SMN1; SMN2NPC1
SCHEMBL15068142 0.73 PIN1 (0.48) KAT2BLMNAHTTCYP1A2ALDH1A1
SCHEMBL2704569 0.72 MEN1 (0.50) LMNAHTTCYP1A2CYP2C9SMN1; SMN2
SCHEMBL1591485 0.71 SLC13A5 (0.40) LMNAALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4008329 0.71 PDE10A (0.51) CYP1A2ALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL16676662 0.70 TDP1 (0.60) KAT2BLMNACYP1A2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US 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-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
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US 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

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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR KAT2B 1228/4885LMNA 881/4885HTT 1697/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR KAT2B 1228/4885LMNA 881/4885HTT 1697/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B KAT2B 4202/4885LMNA 912/4885HTT 775/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR KAT2B 1228/4885LMNA 881/4885HTT 1697/4885

“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.