SCHEMBL2643397

SCHEMBL2643397

CC(O)Oc1ccccc1[S]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 4/20 0.34
ACHE P22303 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 3/20 0.32
TFEB P19484 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11012886 0.84 KMT2A (0.47) KMT2AIRAK4ALDH1A1ACHECA1
SCHEMBL2962387 0.84 KMT2A (0.47) KMT2AIRAK4ALDH1A1ACHECA1
SCHEMBL2096739 0.82 IRAK4 (0.47) KMT2AIRAK4ALDH1A1ACHECA1
SCHEMBL2352949 0.80 CA2 (0.54) KMT2AIRAK4ALDH1A1CA1CA2
SCHEMBL4744924 0.77 ADRA2A (0.41) KMT2AIRAK4ALDH1A1ACHECA1
SCHEMBL515976 0.76 CYP1A2 (0.48) KMT2AALDH1A1TSHRLMNATP53
SCHEMBL516163 0.76 KMT2A (0.60) KMT2AALDH1A1CA1CA2CA12
SCHEMBL2092591 0.75 MCHR1 (0.45) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL23825186 0.74 ALDH1A1 (0.54) KMT2AALDH1A1LMNANFE2L2TP53
SCHEMBL1369853 0.74 ALDH1A1 (0.52) KMT2AIRAK4ALDH1A1TSHRGAA

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 7 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
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
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US 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 KMT2A 1297/4885IRAK4 1480/4885ALDH1A1 1207/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KMT2A 1311/4885IRAK4 1457/4885ALDH1A1 1249/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KMT2A 1297/4885IRAK4 1480/4885ALDH1A1 1207/4885

“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.