SCHEMBL832693

SCHEMBL832693

CC(C)(C)OC(=O)C1CNc2nc3ccc(N)cc3n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
HRH4 Q9H3N8 1/20 0.35
GRM1 Q13255 1/20 0.35
NR1H2 P55055 1/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHEK2 O96017 2/20 0.33
CASP3 P42574 1/20 0.32
ALPI P09923 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
SHMT2 P34897 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
MAP4K4 O95819 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL832880 0.83 BRD4 (0.40) BRD4HRH4MAPTALDH1A1
SCHEMBL831453 0.74 KDM4E (0.35) HRH4GRM1MAPTCYP3A4HTR2B
SCHEMBL832273 0.67 MAPT (0.36) HRH4GRM1MAPTCYP3A4HTR2B
SCHEMBL7249675 0.67 NR1H2 (0.43) BRD4NR1H2CHEK2ACSS2MAP4K4
Hydrochloric Acid SCHEMBL832505 0.66 MAPT (0.39) GRM1MAPTCYP3A4HTR2BSIGMAR1
SCHEMBL22091339 0.65 CNR2 (0.43) BRD4GRM1NR1H2MAPTCYP3A4
SCHEMBL2557494 0.65 HRH4 (0.53) HRH4MAPTCYP3A4ALDH1A1HPGD
SCHEMBL832462 0.64 KMT2A (0.48) BRD4HRH4NR1H2MAPTCHEK2
SCHEMBL4586631 0.64 EPHX2 (0.37) NR1H2CASP3
SCHEMBL5873836 0.62 NR1H2 (0.43) BRD4NR1H2MAP4K4

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 4 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
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

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 BRD4 71/4885HRH4 437/4885GRM1 1260/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS BRD4 65/4885HRH4 485/4885GRM1 1562/4885

“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.