SCHEMBL832273

SCHEMBL832273

CC1CCNc2nc3ccc(N)cc3n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.36
GFER P55789 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
RGS12 O14924 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RPS6KA2 Q15349 6/20 0.34
GRM1 Q13255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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 SCHEMBL832505 0.99 MAPT (0.39) MAPTKDM4EGFERALDH1A1TDP1
SCHEMBL831453 0.86 KDM4E (0.35) MAPTKDM4EGFERALDH1A1TDP1
SCHEMBL831803 0.72 KDM4E (0.44) MAPTKDM4EGFERALDH1A1MEN1
SCHEMBL12477091 0.70 KDM4E (0.47) MAPTKDM4EGFERALDH1A1MEN1
SCHEMBL30856700 0.69 KDM4E (0.65) MAPTKDM4EGFERALDH1A1TDP1
SCHEMBL202597 0.64 KDM4E (0.37) KDM4EALDH1A1HTTHPGD
SCHEMBL832130 0.64 ALDH1A1 (0.51) MAPTKDM4EGFERALDH1A1TDP1
SCHEMBL3577361 0.63 MCHR1 (0.44) MAPTKDM4EGFERHTR2B
SCHEMBL831804 0.63 KDM4E (0.44) MAPTKDM4EGFERALDH1A1TDP1
SCHEMBL831976 0.61 KDM4E (0.35) MAPTKDM4EGFERALDH1A1TDP1

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-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 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 (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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 MAPT 3000/4885KDM4E 1876/4885GFER 2368/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MAPT 3347/4885KDM4E 1797/4885GFER 2214/4885

“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.