SCHEMBL831453

SCHEMBL831453

CC1CNc2nc3ccc(N)cc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
MAPT P10636 7/20 0.35
ALDH1A1 P00352 4/20 0.35
GFER P55789 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL832273 0.86 MAPT (0.36) KDM4EMAPTALDH1A1GFERTDP1
Hydrochloric Acid SCHEMBL832505 0.85 MAPT (0.39) KDM4EMAPTALDH1A1GFERTDP1
SCHEMBL19252944 0.69 RPS6KA2 (0.53) CYP2D6RPS6KA2CYP3A4
SCHEMBL19252943 0.69 RPS6KA2 (0.53) CYP2D6RPS6KA2CYP3A4
SCHEMBL831803 0.68 KDM4E (0.44) KDM4EMAPTALDH1A1GFERMEN1
SCHEMBL30856700 0.68 KDM4E (0.65) KDM4EMAPTALDH1A1GFERTDP1
SCHEMBL9981178 0.66 HRH1 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL12477091 0.66 KDM4E (0.47) KDM4EMAPTALDH1A1GFERMEN1
SCHEMBL202388 0.63 TLR7 (0.44) LMNAPOLBHTR2B
SCHEMBL203469 0.63 TLR7 (0.44) LMNAPOLBHTR2B

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

“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.