SCHEMBL731177

SCHEMBL731177

CCOC(=O)c1cc(CC(C)C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
NR1H2 P55055 2/20 0.42
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
FAAH O00519 1/20 0.40
GAA P10253 1/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1233249 0.84 MPO (0.49) MPONPC1RAB9AMAPTKMT2A
SCHEMBL7697931 0.83 MPO (0.48) MPONPC1RAB9AMAPTKMT2A
SCHEMBL17259226 0.83 KMT2A (0.40) MAPTKMT2AALDH1A1NR1H2CYP1A2
SCHEMBL20521730 0.82 MPO (0.47) MPONPC1RAB9AMAPTKMT2A
SCHEMBL7703560 0.82 MPO (0.47) MPONPC1RAB9AMAPTKMT2A
SCHEMBL6778177 0.82 MPO (0.47) MPONPC1RAB9AMAPTKMT2A
SCHEMBL7697875 0.81 MPO (0.47) MPONPC1RAB9AMAPTKMT2A
SCHEMBL730888 0.80 MDM2 (0.36) MAPTALDH1A1GAAPOLBKDM4E
SCHEMBL1234340 0.80 PLA2G10 (0.43) MAPTALDH1A1LMNAFAAHPOLB
SCHEMBL11283178 0.79 GAA (0.44) MPONPC1RAB9AMAPTKMT2A

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 MPO 117/4885NPC1 1343/4885RAB9A 1171/4885

“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.