SCHEMBL728276

SCHEMBL728276

CC(C)(C)n1nc2c(=O)[nH]c3ccccc3c2c1CCC1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
AKR1C3 P42330 3/20 0.35
ACHE P22303 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 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
SCHEMBL729367 0.89 KDM4E (0.41) SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL728913 0.79 GPR119 (0.43) KDM4ETP53LMNA
SCHEMBL728993 0.76 ADORA3 (0.44) NPC1RAB9AKDM4EADORA3MEN1
Hydrochloric Acid SCHEMBL728705 0.74 ALDH1A1 (0.46) NPC1RAB9AKDM4EADORA3MEN1
SCHEMBL731226 0.72 AKR1C3 (0.37) GRIN2BSMN1; SMN2AKR1C3GRIN2DGRIN3B
SCHEMBL722809 0.72 KHK (0.43) ADORA3
SCHEMBL28784783 0.71 CYP2D6 (0.43) GRIN2BSMN1; SMN2HTTAKR1C3ACHE
SCHEMBL730481 0.67 GPR119 (0.42) KDM4ETP53LMNA
SCHEMBL731042 0.65 MAPT (0.47) KDM4EADORA3MEN1HPGDKMT2A
SCHEMBL5506260 0.65 ADORA3 (0.39) NPC1RAB9AKDM4EADORA3MEN1

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 GRIN2B 3377/4885SMN1; SMN2 4464/4885HTT 4083/4885

“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.