SCHEMBL730906

SCHEMBL730906

c1cnc2ncc3cn[nH]c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NOS1 P29475 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
PRKCI P41743 1/20 0.39
PDE4B Q07343 1/20 0.39
METAP2 P50579 1/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
CDK2 P24941 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NUDT1 P36639 1/20 0.34
PLK4 O00444 1/20 0.34

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
SCHEMBL8600442 0.78 AXL (0.46) LMNAPARP1HCAR2MAPTKDM4E
SCHEMBL2046958 0.76 MAPT (0.52) LMNANOS1HSD17B10TDP1MAPK1
SCHEMBL31615135 0.76 MAPT (0.52) LMNANOS1HSD17B10TDP1MAPK1
SCHEMBL325731 0.76 KDM4E (0.53) NOS1HSD17B10TDP1MAPK1ALDH1A1
SCHEMBL29479307 0.76 KDM4E (0.53) NOS1HSD17B10TDP1MAPK1ALDH1A1
Iodide SCHEMBL10698955 0.75 MAPT (0.50) LMNANOS1HSD17B10TDP1MAPK1
Iodide SCHEMBL10698952 0.75 MAPT (0.50) LMNANOS1HSD17B10TDP1MAPK1
Bromide SCHEMBL10699155 0.75 MAPT (0.50) LMNANOS1HSD17B10TDP1MAPK1
Bromide SCHEMBL10699150 0.75 MAPT (0.50) LMNANOS1HSD17B10TDP1MAPK1
Hydrochloric Acid SCHEMBL30345228 0.74 KDM4E (0.52) NOS1HSD17B10TDP1MAPK1ALDH1A1

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 7 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-20110294799-A1 Organic Compounds NOVARTIS AG 2011-12-01 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 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-A3 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARM GROUP INC (US) 2007-10-04 WO 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 (3 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 LMNA 2914/4885NOS1 470/4885HSD17B10 3928/4885
US-20110294799-A1 Organic Compounds SLCO4C1, SLCO1B1, SLCO1B3 LMNA 2266/4885NOS1 299/4885HSD17B10 1236/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 LMNA 1368/4885NOS1 2013/4885HSD17B10 1053/4885

“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.