SCHEMBL7071802

SCHEMBL7071802

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3C(N)=O)cc2n1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HPGD P15428 1/20 0.34
ACSS2 Q9NR19 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 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
SCHEMBL7072722 0.95 MAPT (0.38) TPSAB1TPSD1TPSG1MAPTPDE4A
SCHEMBL7075123 0.93 PDE4A (0.42) TPSAB1TPSD1TPSG1MAPTPDE4A
SCHEMBL7067761 0.93 TPSAB1 (0.35) TPSAB1TPSD1TPSG1MAPTPDE4A
SCHEMBL7071926 0.92 TPSAB1 (0.35) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL7067665 0.90 TPSAB1 (0.36) TPSAB1TPSD1TPSG1MAPTACSS2
SCHEMBL7073134 0.89 MAPT (0.38) TPSAB1TPSD1TPSG1MAPTHPGD
SCHEMBL7070433 0.88 TPSAB1 (0.34) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL7075272 0.88 TPSAB1 (0.36) TPSAB1TPSD1TPSG1HPGD
SCHEMBL7068197 0.88 KDM4E (0.36) TPSAB1TPSD1TPSG1MAPTACSS2
SCHEMBL7070314 0.88 F7 (0.38) TPSAB1TPSD1TPSG1MAPTPDE4A

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 7 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 claimed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US claimed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP claimed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO claimed
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 TPSAB1 5/4885TPSD1 6/4885TPSG1 3/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TPSAB1 5/4885TPSD1 3/4885TPSG1 2/4885

“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.