SCHEMBL976070

SCHEMBL976070

COC(=O)c1ccn2c(C)c(C)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7981619 0.84 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL973778 0.83 TDP1 (0.45) KDM4EALDH1A1SMN1; SMN2AKT1AKT2
SCHEMBL31212121 0.81 AKT1 (0.40) KDM4EALDH1A1SMN1; SMN2AKT1AKT2
SCHEMBL31091925 0.77 AKT1 (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL18323579 0.77 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL29642259 0.76 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL7981635 0.76 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL24492953 0.76 JMJD6 (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1
SCHEMBL9721533 0.76 HDAC1 (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL23970361 0.75 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
WO-2009112679-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO 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 (1 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 KDM4E 246/4885ALDH1A1 1251/4885SMN1; SMN2 1410/4885

“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.