SCHEMBL2642446

SCHEMBL2642446

[NH]Cc1nc(C(N)=O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
CYP2C19 P33261 1/20 0.43
ACHE P22303 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ENPP2 Q13822 1/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL2642449 0.82 HTR2B (0.45) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL27880690 0.82 CYP2C19 (0.51) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL9385647 0.81 HTR2B (0.44) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL2642294 0.81 MAPT (0.51) HDAC1HDAC8HDAC6MMP1MMP2
SCHEMBL14167419 0.80 HTR2B (0.41) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL29923820 0.79 LOXL2 (0.45) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL30358517 0.79 CYP2C19 (0.45) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL2642529 0.78 MAPT (0.37) CYP2C19HDAC1HDAC8HDAC6MMP1
SCHEMBL3121570 0.78 HTR2B (0.41) HTR2BCYP2C19ACHEHDAC1HDAC8
SCHEMBL14207214 0.78 DPP4 (0.42) HTR2BCYP2C19ACHEHDAC1HDAC8

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 HTR2B 3382/4885CYP2C19 2297/4885ACHE 3373/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HTR2B 3428/4885CYP2C19 2361/4885ACHE 3397/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HTR2B 3382/4885CYP2C19 2297/4885ACHE 3373/4885

“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.