Sugi Predict

Sugi Predict / Compounds / SCHEMBL729014

SCHEMBL729014

SCHEMBL729014

O=c1[nH]c2ccccc2c2c(C(O)CC3CCCCC3)n(-c3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.39
▸ GCK P35557 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL728571 0.91 KHK (0.38) ADORA3
SCHEMBL731226 0.89 AKR1C3 (0.37) ADORA3HSD17B10TSHRSMN1; SMN2
SCHEMBL730481 0.83 GPR119 (0.42) IDO1KDM4EPOLB
SCHEMBL729000 0.75 ADORA3 (0.41) ADORA3ALDH1A1HPGDPOLB
SCHEMBL728613 0.72 ADORA3 (0.47) ADORA3ALDH1A1
SCHEMBL730469 0.71 ADORA3 (0.53) ADORA3HPGDRXFP1
SCHEMBL722809 0.71 KHK (0.43) ADORA3
SCHEMBL728854 0.71 ADORA3 (0.45) ADORA3KDM4EALDH1A1GAA
SCHEMBL730873 0.71 ADORA3 (0.45) ADORA3
SCHEMBL726536 0.71 ALDH1A1 (0.47) ADORA3KDM4EHSD17B10ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 — — US disclosed
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 — — US disclosed
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 — — US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 — — US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 — — US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 — — 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 (1 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 UTS2R 3680/4885GCK 1020/4885ADORA3 1062/4885

“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.