SCHEMBL7073159

SCHEMBL7073159

CCNC(=O)c1ccc2nc(C(C)c3nc4c([nH]3)CCN(C(C)=N)C4)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ACSS2 Q9NR19 6/20 0.35
PDE2A O00408 7/20 0.34
MAPT P10636 1/20 0.34
PLG P00747 2/20 0.33
PDE10A Q9Y233 3/20 0.33

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
SCHEMBL7072446 0.90 LMNA (0.41) TP53ACSS2
SCHEMBL7122845 0.88 GRN (0.37) PLG
SCHEMBL7075194 0.86 ACSS2 (0.36) TP53ACSS2MAPT
SCHEMBL7074567 0.86 TAS1R3 (0.38) PLG
SCHEMBL7068659 0.84 NPC1 (0.36) ACSS2
SCHEMBL7071905 0.83 TPSAB1 (0.33) ACSS2MAPT
SCHEMBL7069828 0.82 TPSAB1 (0.37) PDE2APLG
SCHEMBL7067706 0.81 TPSAB1 (0.34) ACSS2
SCHEMBL7069832 0.81 TPSAB1 (0.34)
SCHEMBL7069756 0.81 TPSAB1 (0.34) ACSS2PDE2APDE10A

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 TP53 3162/4885ACSS2 609/4885PDE2A 1059/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TP53 2387/4885ACSS2 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.