SCHEMBL728913

SCHEMBL728913

CC(C)(C)OC(=O)N1CCC(CCc2c3c(nn2-c2ccccc2)c(=O)[nH]c2ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
LMNA P02545 4/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 6/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 2/20 0.40
SSTR3 P32745 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 2/20 0.38

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
SCHEMBL729367 0.88 KDM4E (0.41) GPR119KDM4EPKMSSTR3P2RX7
SCHEMBL730571 0.85 DTYMK (0.43) GPR119LMNAPOLBTP53THRB
SCHEMBL730481 0.85 GPR119 (0.42) GPR119LMNAKDM4EPKMPOLB
SCHEMBL728276 0.79 GRIN2B (0.35) LMNAKDM4ETP53
SCHEMBL730873 0.75 ADORA3 (0.45)
SCHEMBL726536 0.75 ALDH1A1 (0.47) KDM4E
SCHEMBL5742392 0.73 PARP1 (0.55) KDM4EPKM
SCHEMBL728854 0.73 ADORA3 (0.45) KDM4EMAPTTDP1
SCHEMBL731226 0.72 AKR1C3 (0.37) LMNA
SCHEMBL25362261 0.72 GRIN2B (0.56) KDM4EPKM

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-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
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO 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 GPR119 2655/4885LMNA 2914/4885KDM4E 3301/4885

“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.