Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072576

SCHEMBL7072576

SCHEMBL7072576

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCn5cnc6ccccc65)cc4n3C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.37
▸ PDE10A Q9Y233 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ SMYD2 Q9NRG4 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PLD2 O14939 1/20 0.33
▸ PLD1 Q13393 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL7073496 0.86 NPC1 (0.46) PIK3CDPIK3CAPIK3CBACSS2SMN1; SMN2
SCHEMBL7072569 0.86 NPC1 (0.35) GAAPDE10APIK3CDPIK3CAPIK3CB
SCHEMBL7075212 0.85 NPC1 (0.43) NPC1MAPTRAB9A
SCHEMBL7073312 0.84 TRPV1 (0.37) GAALMNAACSS2TP53MAPT
SCHEMBL7072153 0.84 RAB9A (0.37) GAAPDE10ALMNASMN1; SMN2KDM4E
SCHEMBL7072326 0.83 TPSAB1 (0.41) LMNASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7072285 0.82 SMN1; SMN2 (0.40) LMNASMN1; SMN2TP53MAPT
SCHEMBL7074863 0.82 GAA (0.36) GAAPDE10ALMNAACSS2SMN1; SMN2
SCHEMBL7072504 0.82 GAA (0.38) GAAPDE10APIK3CDPIK3CAPIK3CB
SCHEMBL7073893 0.82 F10 (0.39) NPC1RAB9AKMT2AMTNR1AMTNR1B

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 GAA 69/4885PDE10A 2012/4885PKM 2605/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 GAA 181/4885PDE10A 3544/4885PKM 1796/4885

“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.