SCHEMBL7072267

SCHEMBL7072267

CC(c1nc2cc(-n3ccnc3)ccc2[nH]1)c1nc2ccc(C(=O)NCCn3cnnn3)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.37
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
BRD4 O60885 4/20 0.33
ACSS2 Q9NR19 2/20 0.33
DRD3 P35462 4/20 0.33
DRD2 P14416 3/20 0.33
NAMPT P43490 1/20 0.33
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL7067809 0.91 F9 (0.38) F9BRD4ACSS2
SCHEMBL7074547 0.89 HTT (0.40) F9ADRB2ADRB1ADRB3BRD4
SCHEMBL7069807 0.88 HPGD (0.40) F9ADRB2ADRB1ADRB3ACSS2
SCHEMBL7073168 0.84 NPC1 (0.41) F9ADRB2ADRB1ADRB3ACSS2
SCHEMBL7072273 0.83 ADRB2 (0.40) F9ADRB2ADRB1ADRB3ACSS2
SCHEMBL7068233 0.82 DRD2 (0.43) ADRB2ADRB1ADRB3DRD3DRD2
SCHEMBL7070332 0.81 DRD2 (0.38) F9ADRB2ADRB1ADRB3ACSS2
SCHEMBL7068172 0.81 ACSS2 (0.41) F9ADRB2ADRB1ADRB3ACSS2
SCHEMBL7072628 0.80 ADRB2 (0.37) F9ADRB2ADRB1ADRB3BRD4
SCHEMBL7069733 0.80 DRD2 (0.37) F9ADRB2ADRB1ADRB3BRD4

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 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.