SCHEMBL317192

SCHEMBL317192

O=C(O)c1cc(Cl)cc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.58
CTRC Q99895 1/20 0.57
KMO O15229 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
LMNA P02545 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CNR2 P34972 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL1207020 0.88 CTRC (0.51) MCL1CTRCKMOALDH1A1SMN1; SMN2
SCHEMBL1201745 0.85 CTRC (0.49) MCL1CTRCKMOALDH1A1SMN1; SMN2
SCHEMBL16724450 0.82 ALDH1A1 (0.54) CTRCALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL316446 0.81 MCL1 (0.81) MCL1KMOADORA3ADORA1
SCHEMBL15383823 0.81 MCL1 (0.65) MCL1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL14886507 0.80 MEN1 (0.67) CTRCALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL983902 0.80 MCL1 (0.59) MCL1CTRCKMOALDH1A1SMN1; SMN2
SCHEMBL1200252 0.79 GABRA2 (0.55) ALDH1A1SMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL744473 0.78 ALOX15 (0.61) MCL1KMOKDM4ELMNA
SCHEMBL4265697 0.78 KMO (0.58) MCL1CTRCKMOALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
CN-101522629-B 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2012-07-18 CN disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
CN-101522629-A 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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 (3 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 MCL1 3193/4885CTRC 4029/4885KMO 933/4885
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 MCL1 2710/4885CTRC 3463/4885KMO 1354/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 MCL1 3227/4885CTRC 4808/4885KMO 3705/4885

“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.