SCHEMBL975213

SCHEMBL975213

Cc1nc2cc(N)ccn2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
COMT P21964 1/20 0.36
USP7 Q93009 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
PRMT5 O14744 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
Hydrochloric Acid SCHEMBL973998 0.98 KDM4E (0.39) ALDH1A1KDM4ECOMTUSP7LMNA
SCHEMBL12832208 0.80 ALDH1A1 (0.59) ALDH1A1KDM4ECOMTUSP7LMNA
SCHEMBL22145958 0.77 CYP11B1 (0.56) ALDH1A1KDM4ECOMTLMNAPOLB
SCHEMBL974116 0.77 KDM4E (0.40) ALDH1A1KDM4ECOMTLMNAPOLB
SCHEMBL14685300 0.77 PARP1 (0.40) ALDH1A1KDM4ECOMTLMNAPOLB
SCHEMBL11890097 0.76 AKT1 (0.52) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL18231768 0.75 TLR9 (0.36) ALDH1A1KDM4EUSP7LMNANPC1
SCHEMBL12758863 0.74 ALDH1A1 (0.38) ALDH1A1KDM4ECOMTLMNAPOLB
SCHEMBL22153369 0.74 PDE10A (0.46) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL21646461 0.74 ALDH1A1 (0.38) ALDH1A1KDM4ECOMTLMNANPC1

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 5 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2235016-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP 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 ALDH1A1 1251/4885KDM4E 246/4885COMT 3092/4885

“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.