Sugi Predict

Sugi Predict / Compounds / SCHEMBL7069146

SCHEMBL7069146

SCHEMBL7069146

CC(c1nc2cc(-n3ccnc3)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3C(=O)OC3CCCCC3)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ F9 P00740 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ HPGD P15428 3/20 0.33
▸ TPSAB1 Q15661 2/20 0.33
▸ TPSD1 Q9BZJ3 2/20 0.33
▸ TPSG1 Q9NRR2 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NAMPT P43490 3/20 0.32
▸ LMNA P02545 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
SCHEMBL7069733 0.91 DRD2 (0.37) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7070332 0.90 DRD2 (0.38) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7071895 0.90 DRD3 (0.38) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7072628 0.90 ADRB2 (0.37) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7072070 0.89 DRD2 (0.36) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7073823 0.88 DRD3 (0.37) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7068233 0.88 DRD2 (0.43) PDE4APDE4BPDE4CPDE4DDRD2
SCHEMBL7073168 0.86 NPC1 (0.41) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7074791 0.85 MAPT (0.36) DRD2DRD3F9ADRB2ADRB1
SCHEMBL7069807 0.84 HPGD (0.40) DRD2DRD3F9ADRB2ADRB1

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 PDE4A 1106/4885PDE4B 1453/4885PDE4C 1006/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PDE4A 1396/4885PDE4B 1874/4885PDE4C 1951/4885

“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.