SCHEMBL973664

SCHEMBL973664

Cc1nc2c[c]ccn2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CDK4 P11802 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ F2RL1 P55085 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NFKB1 P19838 1/20 0.34

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
SCHEMBL9611707 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CDK4
SCHEMBL8311759 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CDK4
SCHEMBL974492 0.74 — —
SCHEMBL14682567 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CDK4
SCHEMBL12920734 0.69 COMT (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL24798475 0.69 AKT1 (0.41) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL19514193 0.68 KDR (0.57) —
SCHEMBL947308 0.68 CDK2 (0.55) ALDH1A1KDM4EHPGDHSD17B10CDK4
SCHEMBL30218059 0.67 AKT1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CDK4
SCHEMBL18805392 0.66 L3MBTL1 (0.40) ALDH1A1KDM4EHPGDHSD17B10GAA

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 3 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

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 246/4885HPGD 740/4885

“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.

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