SCHEMBL7072273

SCHEMBL7072273

CC(c1nc2cc(-n3ccnc3)ccc2[nH]1)c1nc2ccc(C(=O)NCCc3cccc4ccccc34)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
F9 P00740 2/20 0.39
MAPT P10636 3/20 0.37
ACSS2 Q9NR19 4/20 0.37
CYP4Z1 Q86W10 1/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
PARP1 P09874 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
CSNK1D P48730 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
SCHEMBL7067795 0.90 F9 (0.37) ADRB2ADRB1ADRB3F9MAPT
SCHEMBL7068312 0.88 ACSS2 (0.37) MAPTACSS2TRPV1ATMCSNK1D
SCHEMBL7074547 0.87 HTT (0.40) ADRB2ADRB1ADRB3F9ACSS2
SCHEMBL7067718 0.86 TRPV1 (0.40) MAPTACSS2TRPV1ATM
SCHEMBL7069807 0.86 HPGD (0.40) ADRB2ADRB1ADRB3F9ACSS2
SCHEMBL7067809 0.86 F9 (0.38) F9ACSS2CYP4Z1
SCHEMBL7069142 0.86 F9 (0.45) ADRB2ADRB1ADRB3F9MAPT
SCHEMBL7070345 0.86 TRPV1 (0.37) MAPTACSS2TRPV1ATM
SCHEMBL7073168 0.85 NPC1 (0.41) ADRB2ADRB1ADRB3F9ACSS2
SCHEMBL7073124 0.85 ACSS2 (0.38) MAPTACSS2TRPV1TP53

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 3 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

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 ADRB2 3450/4885ADRB1 2694/4885ADRB3 1875/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ADRB2 2283/4885ADRB1 1935/4885ADRB3 772/4885

“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.