SCHEMBL554742

SCHEMBL554742

O=C(O)c1cc(Cc2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KLKB1 P03952 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
JAK2 O60674 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKACA P17612 2/20 0.42
CDK2 P24941 2/20 0.42
KDR P35968 2/20 0.42
GSK3B P49841 2/20 0.42
AURKB Q96GD4 2/20 0.42
RIPK1 Q13546 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42

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
SCHEMBL8879575 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL19556300 0.85 HCAR2 (0.43) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL23830223 0.84 NAPRT (0.49) SMN1; SMN2RAB9AL3MBTL1
SCHEMBL17967285 0.84 HCAR2 (0.46) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL24208425 0.81 SRD5A2 (0.50) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL17288769 0.80 TSHR (0.47) SMN1; SMN2ALDH1A1RAB9AL3MBTL1HCAR2
SCHEMBL19224631 0.80 KLKB1 (0.49) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL18973200 0.77 HCAR2 (0.53) ALDH1A1TDP1HCAR2JAK2PRKACA
SCHEMBL597064 0.76 HCAR2 (0.57) SMN1; SMN2ALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL5286994 0.75 HCAR2 (0.52) SMN1; SMN2ALDH1A1RAB9AHCAR2JAK2

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-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 WO disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US 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 (2 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT SMN1; SMN2 2231/4885ALDH1A1 1337/4885RAB9A 4147/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 SMN1; SMN2 1564/4885ALDH1A1 3050/4885RAB9A 1012/4885

“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.