SCHEMBL731128

SCHEMBL731128

CCc1[nH]nc2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.55
PBRM1 Q86U86 1/20 0.49
PARP1 P09874 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 2/20 0.42
TNKS O95271 1/20 0.42
LMNA P02545 1/20 0.42
GPR3 P46089 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
SCHEMBL5512657 0.74 CHEK1 (0.46) CHEK1PARP1ALDH1A1MEN1KMT2A
SCHEMBL6509924 0.72 CHEK1 (0.70) CHEK1PARP1HPGDCYP1A2ADORA3
SCHEMBL728993 0.69 ADORA3 (0.44) CHEK1PARP1ALDH1A1MEN1KMT2A
SCHEMBL728568 0.69 ADORA3 (0.47) ALDH1A1MEN1KMT2AHPGDADORA3
SCHEMBL14533466 0.67 RAB9A (0.60) PARP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL5698454 0.67 PBRM1 (0.45) PBRM1PARP1ALDH1A1MEN1KMT2A
SCHEMBL1896422 0.66 ALDH1A1 (0.43) CHEK1PARP1ALDH1A1MEN1KMT2A
SCHEMBL18015851 0.65 KIF11 (0.46) ALDH1A1MEN1KMT2AHPGDGLA
SCHEMBL8042020 0.65 RAB9A (0.61) PARP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL16540988 0.65 CHEK1 (0.55) CHEK1PARP1ALDH1A1MEN1KMT2A

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 CHEK1 1853/4885PBRM1 2426/4885PARP1 2642/4885

“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.