SCHEMBL2644050

SCHEMBL2644050

[CH2]c1ccnc(C(=O)NC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
HPGD P15428 2/20 0.41
BRAF P15056 3/20 0.41
RAF1 P04049 2/20 0.41
EPHX2 P34913 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL163711 0.81 KDR (0.48) KDRHPGDBRAFRAF1EPHX2
SCHEMBL3257638 0.79 KDR (0.47) KDRHPGDBRAFRAF1EPHX2
SCHEMBL171083 0.79 CTSA (0.48) KDRBRAFRAF1NPC1PKM
SCHEMBL29580736 0.79 CTSA (0.48) KDRBRAFRAF1NPC1PKM
SCHEMBL30201887 0.79 KDR (0.47) KDRHPGDBRAFRAF1EPHX2
SCHEMBL2642554 0.79 KDR (0.47) KDRHPGDBRAFRAF1EPHX2
SCHEMBL2643035 0.79 ALDH1A1 (0.50) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL131789 0.78 ALDH1A1 (0.50) HPGDPARP1KDM4EALDH1A1LMNA
SCHEMBL2642557 0.78 KDR (0.46) KDRHPGDBRAFRAF1EPHX2
SCHEMBL2642839 0.78 KDR (0.46) KDRHPGDBRAFRAF1EPHX2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
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
CN-100422172-C Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORP (US) 2008-10-01 CN disclosed
CN-100374435-C Substituted pyridazines having angiogenesis inhibiting activity BAYER CORP (US) 2008-03-12 CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
CN-1769283-A Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORP (US) 2006-05-10 CN disclosed
CN-1769282-A Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORP (US) 2006-05-10 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
CN-1420879-A Substituted pyridines and pyridazines having angiogenesis inhibiting activity BAYER AG (US) 2003-05-28 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 KDR 1487/4885HPGD 2127/4885BRAF 1215/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 KDR 1492/4885HPGD 2159/4885BRAF 1195/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 KDR 1487/4885HPGD 2127/4885BRAF 1215/4885

“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.