SCHEMBL2642613

SCHEMBL2642613

CCC(=O)Nc1ccc(C[NH])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MAPT P10636 2/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.50
CACNA1B Q00975 1/20 0.49

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
SCHEMBL13989319 0.85 GAA (0.73) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL826066 0.84 HDAC3 (0.64) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL12285463 0.84 GAA (0.61) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL13652580 0.82 GAA (0.59) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL6029960 0.82 GAA (0.59) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL2056485 0.81 GAA (0.58) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL31325579 0.81 GAA (0.58) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL1189878 0.81 CA12 (0.59) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL10117151 0.81 POLB (0.60) GAAMAPTATMSMN1; SMN2RAB9A
SCHEMBL2643316 0.80 GAA (0.61) GAAMAPTATMSMN1; SMN2RAB9A

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 GAA 481/4885MAPT 4596/4885ATM 2328/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 GAA 482/4885MAPT 4612/4885ATM 2319/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 GAA 481/4885MAPT 4596/4885ATM 2328/4885

“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.