SCHEMBL729367

SCHEMBL729367

CC(C)(C)OC(=O)N1CCC(CCc2c3c(nn2C(C)(C)C)c(=O)[nH]c2ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
SSTR3 P32745 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BRD3 Q15059 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
P2RX7 Q99572 2/20 0.37

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
SCHEMBL728276 0.89 GRIN2B (0.35) KDM4EHTTSMN1; SMN2RXFP1
SCHEMBL728913 0.88 GPR119 (0.43) KDM4EPKMSSTR3GPR119P2RX7
SCHEMBL730481 0.77 GPR119 (0.42) KDM4EPKMSSTR3GPR119IDO1
SCHEMBL730571 0.75 DTYMK (0.43) HTTSMN1; SMN2TSHRPARP1GPR119
SCHEMBL728993 0.74 ADORA3 (0.44) KDM4ETSHRPARP1
SCHEMBL5742392 0.72 PARP1 (0.55) KDM4EPKMPARP1
Hydrochloric Acid SCHEMBL728705 0.72 ALDH1A1 (0.46) KDM4ETSHRPARP1
SCHEMBL25362261 0.71 GRIN2B (0.56) KDM4EPKMHTTPARP1
SCHEMBL17796243 0.70 TSHR (0.64) KDM4EPKMHTTSMN1; SMN2TSHR
SCHEMBL4514765 0.69 KDM4E (0.53) KDM4EPKMSSTR3PARP1GPR119

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 4 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-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 KDM4E 3301/4885PKM 1481/4885SSTR3 3772/4885

“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.