SCHEMBL839638

SCHEMBL839638

CN1CCCn2c1nc1cc(N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
GFER P55789 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAD52 P43351 1/20 0.40
NSD2 O96028 1/20 0.38
HSD17B10 Q99714 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
PRKCI P41743 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
BRPF1 P55201 2/20 0.36
PRKACA P17612 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 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
SCHEMBL839639 0.97 KDM4E (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL840002 0.91 KDM4E (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL840099 0.83 KDM4E (0.43) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL831370 0.78 HRH4 (0.37) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL7679420 0.78 MAPT (0.57) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL6235131 0.75 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL5533811 0.74 S100B (0.40) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL7679513 0.74 TSHR (0.55) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL25598202 0.74 ALDH1A1 (0.49) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL830906 0.73 KDM4E (0.60) KDM4EALDH1A1MAPTGFERTDP1

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 10 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-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-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
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
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
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 KDM4E 1876/4885ALDH1A1 453/4885MAPT 3000/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885ALDH1A1 484/4885MAPT 3347/4885

“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.