SCHEMBL7069142

SCHEMBL7069142

Cn1c(Cc2nc3cc(-n4ccnc4)ccc3[nH]2)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.45
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
GAA P10253 1/20 0.37
CYP4Z1 Q86W10 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CSNK1D P48730 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PARP1 P09874 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL7068332 0.86 F2 (0.40) F9MAPTTRPV1GAA
SCHEMBL7068297 0.86 TRPV1 (0.43) MAPTTRPV1GAAHDAC1HDAC6
SCHEMBL7072273 0.86 ADRB2 (0.40) F9ADRB2ADRB1ADRB3MAPT
SCHEMBL7072699 0.85 TRPV1 (0.40) MAPTTRPV1GAAHDAC1HDAC6
SCHEMBL7067795 0.78 F9 (0.37) F9ADRB2ADRB1ADRB3MAPT
SCHEMBL7071907 0.78 NOD1 (0.38) F9TRPV1
SCHEMBL7071922 0.77 NOD1 (0.37) F9MAPTTRPV1HDAC1
SCHEMBL7071982 0.75 THRB (0.53) MAPTTRPV1
SCHEMBL7068312 0.75 ACSS2 (0.37) MAPTTRPV1CSNK1D
SCHEMBL7072014 0.74 ACSS2 (0.39) F9TRPV1

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 2202/4885ADRB2 3450/4885ADRB1 2694/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F9 3853/4885ADRB2 2283/4885ADRB1 1935/4885

“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.