SCHEMBL1777549

SCHEMBL1777549

Cn1nc(C(N)=O)cc1CC1(O)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.36
HASPIN Q8TF76 4/20 0.32
CCNC P24863 3/20 0.32
CDK8 P49336 3/20 0.32
CDK19 Q9BWU1 3/20 0.32
GSK3B P49841 1/20 0.32
ALOX5 P09917 1/20 0.32
CNR2 P34972 3/20 0.31
FAAH O00519 1/20 0.31
MAP3K14 Q99558 2/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
CNR1 P21554 2/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
PIK3CB P42338 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL15653600 0.76 GRM2 (0.41) LMNAPOLB
SCHEMBL1776823 0.75 BACE1 (0.30)
SCHEMBL1234340 0.72 PLA2G10 (0.43) PLA2G10GSK3BFAAHLMNAPOLB
SCHEMBL1233408 0.72 PLA2G10 (0.45) PLA2G10GSK3BFAAHLMNAPOLB
SCHEMBL6825782 0.72 PLA2G10 (0.45) PLA2G10GSK3BFAAHLMNAPOLB
SCHEMBL1778623 0.70 KDM1A (0.36) PLA2G10HASPINCCNCCDK8CDK19
SCHEMBL1233761 0.66 PLA2G10 (0.40) PLA2G10GSK3BFAAHLMNAHSD17B10
SCHEMBL14352306 0.65 PLA2G10 (0.42) PLA2G10GSK3BFAAHMAP3K14LMNA
SCHEMBL1234257 0.65 PLA2G10 (0.40) PLA2G10GSK3BFAAHLMNAPOLB
SCHEMBL30385642 0.65 RIPK1 (0.47) PLA2G10HSD17B10

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-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 US disclosed
EP-1863814-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES 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-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG PLA2G10 4273/4885HASPIN 1453/4885CCNC 78/4885

“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.