SCHEMBL9893004

SCHEMBL9893004

CC(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.74
CSNK2A1 P68400 3/20 0.74
NPC1 O15118 11/20 0.70
RAB9A P51151 10/20 0.70
KDM4E B2RXH2 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
CSNK2B P67870 1/20 0.64
TSHR P16473 1/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
TP53 P04637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 1/20 0.60
HPGD P15428 1/20 0.60
AHR P35869 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RXFP1 Q9HBX9 2/20 0.59
USP2 O75604 1/20 0.58
GFER P55789 1/20 0.58
MAPT P10636 1/20 0.56

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
SCHEMBL3828303 0.86 NPC1 (0.71) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL2421423 0.83 KDM4E (0.75) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL20522351 0.83 CSNK2A2 (0.70) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL18788945 0.83 NPC1 (0.67) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL14962997 0.82 KDM4E (0.76) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL16253030 0.82 NPC1 (0.64) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL9891908 0.82 NPC1 (0.63) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL11480689 0.81 CSNK2A2 (0.83) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL28568674 0.81 RXFP1 (0.62) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL8144852 0.80 RAB9A (1.00) NPC1RAB9AKDM4ESMN1; SMN2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US 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 (2 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CSNK2A2 1249/4885CSNK2A1 1341/4885NPC1 1779/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CSNK2A2 1420/4885CSNK2A1 1359/4885NPC1 1904/4885

“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.