SCHEMBL2211699

SCHEMBL2211699

COC(=O)c1nc(Cl)ccc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2212956 0.83 AKR1C3 (0.48) TSHRKDM4EMAPTALDH1A1CYP2C9
SCHEMBL2527364 0.83 TUBB4A (0.47) TSHRKDM4EMAPTALDH1A1NPSR1
SCHEMBL30674849 0.83 TUBB4A (0.47) TSHRKDM4EMAPTALDH1A1NPSR1
SCHEMBL2527363 0.82 TUBB4A (0.52) TSHRKDM4EMAPTALDH1A1NPSR1
SCHEMBL29416399 0.82 TUBB4A (0.52) TSHRKDM4EMAPTALDH1A1NPSR1
SCHEMBL25307810 0.80 TUBB4A (0.47) KDM4EMAPTALDH1A1NPSR1MAPK1
SCHEMBL6377769 0.79 MAPT (0.49) KDM4EMAPTALDH1A1NPSR1CYP2C19
SCHEMBL11234637 0.76 AKR1C3 (0.48) TSHRKDM4EALDH1A1HSD17B10ALOX15
SCHEMBL1915278 0.76 AKR1C3 (0.47) KDM4EMAPTALDH1A1CYP2C9MAPK1
SCHEMBL11712622 0.76 MAPT (0.43) TSHRMAPTALDH1A1CYP2C19CYP3A4

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-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TSHR 2279/4885KDM4E 1304/4885MAPT 4596/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TSHR 2160/4885KDM4E 1297/4885MAPT 4612/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TSHR 2279/4885KDM4E 1304/4885MAPT 4596/4885

“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.