SCHEMBL184324

SCHEMBL184324

[c]1ccccc1-n1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.52
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.40
F2 P00734 1/20 0.40
HSD17B10 Q99714 1/20 0.38
KCNJ1 P48048 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL586173 0.73 NOTUM (0.40) NOTUM
SCHEMBL1521939 0.71 MAPT (0.31) MAPT
SCHEMBL1195972 0.70 NOTUM (0.46) NOTUMALDH1A1NPSR1MAPTF2
SCHEMBL12615992 0.70 ALDH1A1 (0.68) NOTUMALDH1A1NPSR1MAPTF2
SCHEMBL586172 0.69 CYP2A6 (0.42) ALDH1A1LMNAHTTKMT2AKDM4E
SCHEMBL28511732 0.69 ALDH1A1 (0.47) NOTUMALDH1A1NPSR1MAPTF2
SCHEMBL17714518 0.68 NOTUM (0.41) NOTUMALDH1A1NPSR1MAPTF2
SCHEMBL28994295 0.67 NOTUM (0.95) NOTUMALDH1A1NPSR1MAPTF2
SCHEMBL3962509 0.67 NOTUM (0.95) NOTUMALDH1A1NPSR1MAPTF2
Hydrochloric Acid SCHEMBL2897369 0.67 NOTUM (0.95) NOTUMALDH1A1NPSR1MAPTF2

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958495-A Novel compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA 2014-07-30 CN claimed
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP claimed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP claimed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP claimed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US claimed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US claimed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO claimed
EP-2016064-B1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP claimed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US claimed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US claimed
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US claimed
JP-2007505908-A 2007-03-15 JP claimed
JP-2007504160-A 2007-03-01 JP claimed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO claimed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US claimed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP claimed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP claimed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO claimed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B NOTUM 3736/4885ALDH1A1 2953/4885NPSR1 41/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B NOTUM 3736/4885ALDH1A1 2953/4885NPSR1 41/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B NOTUM 3736/4885ALDH1A1 2953/4885NPSR1 41/4885
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 NOTUM 4551/4885ALDH1A1 3160/4885NPSR1 52/4885
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS HTR3C, HTR3A, HTR3B NOTUM 2205/4885ALDH1A1 2268/4885NPSR1 35/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 NOTUM 4551/4885ALDH1A1 3160/4885NPSR1 52/4885

“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.