SCHEMBL7067809

SCHEMBL7067809

CCNC(=O)c1ccc2nc(C(C)c3nc4cc(-n5ccnc5)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.38
ACSS2 Q9NR19 5/20 0.37
PDE2A O00408 3/20 0.37
CYP4Z1 Q86W10 1/20 0.35
BRD4 O60885 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HTT P42858 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
SCHEMBL7074547 0.92 HTT (0.40) F9ACSS2BRD4HTT
SCHEMBL7069807 0.91 HPGD (0.40) F9ACSS2TDP1HTT
SCHEMBL7072267 0.91 F9 (0.37) F9ACSS2BRD4
SCHEMBL7073168 0.87 NPC1 (0.41) F9ACSS2
SCHEMBL7072273 0.86 ADRB2 (0.40) F9ACSS2CYP4Z1
SCHEMBL7068233 0.85 DRD2 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7074504 0.85 PLG (0.33) F9BRD4TDP1HTT
SCHEMBL7070332 0.84 DRD2 (0.38) F9ACSS2CYP4Z1
SCHEMBL7075109 0.84 ACSS2 (0.40) ACSS2PDE2A
SCHEMBL7068172 0.83 ACSS2 (0.41) F9ACSS2TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 F9 2202/4885ACSS2 609/4885PDE2A 1059/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F9 3853/4885ACSS2 746/4885PDE2A 2326/4885

“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.