SCHEMBL731060

SCHEMBL731060

CCCCc1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GLA P06280 1/20 0.49
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCL1 Q07820 1/20 0.46
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
PARP1 P09874 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL726536 0.93 ALDH1A1 (0.47) TSHRGLAHSD17B10KDM4EALDH1A1
SCHEMBL728568 0.88 ADORA3 (0.47) HSD17B10KDM4EALDH1A1HPGDADORA3
SCHEMBL730873 0.86 ADORA3 (0.45) ADORA3PARP1
SCHEMBL728613 0.83 ADORA3 (0.47) ALDH1A1ADORA3PARP1
Hydrochloric Acid SCHEMBL728635 0.82 ADORA3 (0.46) KDM4EALDH1A1ADORA3PARP1
SCHEMBL728854 0.81 ADORA3 (0.45) KDM4EALDH1A1ADORA3GAAPARP1
SCHEMBL735233 0.79 KDM4E (0.51) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL730469 0.79 ADORA3 (0.53) HPGDCYP1A2CYP2C19ADORA3
SCHEMBL722809 0.78 KHK (0.43) ADORA3
SCHEMBL728693 0.78 ADORA3 (0.46) KDM4EALDH1A1HPGDADORA3KMT2A

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 TSHR 3315/4885GLA 3124/4885HSD17B10 3928/4885

“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.