SCHEMBL735233

SCHEMBL735233

CCOC(=O)Cc1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
KLK6 Q92876 3/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KLK7 P49862 1/20 0.44
KLK14 Q9P0G3 1/20 0.44
KLK5 Q9Y337 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL728854 0.86 ADORA3 (0.45) KDM4EALDH1A1ADORA3GAA
SCHEMBL733655 0.85 KDM4E (0.53) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL728568 0.83 ADORA3 (0.47) KDM4EALDH1A1HSD17B10HPGDADORA3
SCHEMBL726536 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL728613 0.81 ADORA3 (0.47) ALDH1A1ADORA3
SCHEMBL731060 0.79 TSHR (0.49) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL730873 0.79 ADORA3 (0.45) ADORA3
Hydrochloric Acid SCHEMBL728635 0.78 ADORA3 (0.46) KDM4EALDH1A1ADORA3
SCHEMBL730519 0.78 ALDH1A1 (0.45) LMNAALDH1A1HSD17B10TSHRHPGD
SCHEMBL730469 0.77 ADORA3 (0.53) HPGDADORA3L3MBTL1

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 2 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-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 KDM4E 3301/4885LMNA 2914/4885ALDH1A1 1384/4885

“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.