SCHEMBL2642449

SCHEMBL2642449

NCc1nc(C(N)=O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.45
CYP2C19 P33261 1/20 0.44
DPP4 P27487 2/20 0.42
ACHE P22303 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ENPP2 Q13822 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL29923820 0.85 LOXL2 (0.45) HTR2BCYP2C19DPP4ACHEHDAC1
SCHEMBL3597949 0.84 MMP1 (0.53) DPP4HDAC1HDAC8HDAC6MMP1
Hydrochloric Acid SCHEMBL23120712 0.82 MMP1 (0.51) DPP4HDAC1HDAC8HDAC6MMP1
SCHEMBL2642446 0.82 HTR2B (0.44) HTR2BCYP2C19DPP4ACHEHDAC1
SCHEMBL9385647 0.82 HTR2B (0.44) HTR2BCYP2C19DPP4ACHEHDAC1
SCHEMBL9926020 0.82 MAPT (0.51) DPP4HDAC1HDAC8HDAC6MMP1
SCHEMBL30358517 0.81 CYP2C19 (0.45) HTR2BCYP2C19DPP4ACHEHDAC1
SCHEMBL1468212 0.80 ALDH1A1 (0.37) DPP4HDAC1HDAC8HDAC6MMP1
SCHEMBL22468337 0.80 LOXL2 (0.33) HDAC1HDAC8HDAC6MMP1MMP2
SCHEMBL3121570 0.79 HTR2B (0.41) HTR2BCYP2C19DPP4ACHEHDAC1

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 8 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
CN-1364163-A Method for producing 2-aminomethyl-4-cyano-thiazol BASF AG (DE) 2002-08-14 CN 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 2297/4885DPP4 81/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HTR2B 3428/4885CYP2C19 2361/4885DPP4 76/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HTR2B 3382/4885CYP2C19 2297/4885DPP4 81/4885

“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.