SCHEMBL2242841

SCHEMBL2242841

Cc1cn2cc(S)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
PAX8 Q06710 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
MCHR1 Q99705 1/20 0.38
PKM P14618 2/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 2/20 0.36

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
SCHEMBL4790793 0.80 NPC1 (0.59) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14427902 0.75 CYP11B1 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL433724 0.75 RAB9A (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13391848 0.75 APP (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL418021 0.75 PIK3CG (0.60) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7988504 0.75 APP (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2294229 0.75 APP (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13325760 0.73 ALDH1A3 (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL16340011 0.73 APP (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31210542 0.73 APP (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP 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 NPC1 4261/4885RAB9A 3609/4885KDM4E 1304/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 NPC1 4274/4885RAB9A 3535/4885KDM4E 1297/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NPC1 4261/4885RAB9A 3609/4885KDM4E 1304/4885

“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.