SCHEMBL2735124

SCHEMBL2735124

N=C(N)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.59
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
TAAR1 Q96RJ0 2/20 0.50
PNMT P11086 2/20 0.50
PIK3CA P42336 1/20 0.45
KMT2A Q03164 2/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 2/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
FDPS P14324 1/20 0.41
TSHR P16473 1/20 0.41

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
Hydrochloric Acid SCHEMBL213651 0.98 IDO1 (0.61) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1029174 0.79 SLC6A4 (0.54) IDO1TAAR1PNMTPIK3CAKMT2A
SCHEMBL655365 0.79 IDO1 (0.50) IDO1TAAR1PNMTPIK3CAKMT2A
SCHEMBL19611546 0.76 HSP90AA1 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22615041 0.76 HSP90AA1 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL836981 0.76 HSP90AA1 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2791900 0.76 TSHR (0.50) IDO1TAAR1PNMTPIK3CAKMT2A
SCHEMBL836980 0.76 IDO1 (0.47) IDO1TAAR1PNMTPIK3CAKMT2A
SCHEMBL799651 0.76 HTR3E (0.59) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4682037 0.75 PIK3CA (0.53) IDO1TAAR1PNMTPIK3CAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP claimed
US-4522763-A STARTING MATERIALS FOR CROP PROTECTION AGENTS AND SELECTIVE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 US claimed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
US-4522763-A STARTING MATERIALS FOR CROP PROTECTION AGENTS AND SELECTIVE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed
EP-0073442-B1 N-ALKOXYCARBONYL AND N-ALKOXYTHIOCARBONYL AMIDINES AND PREPARATION THEREOF BASF Aktiengesellschaft (DE) 1985-03-13 EP disclosed
EP-0073442-A2 N-alkoxycarbonyl and N-alkoxythiocarbonyl amidines and preparation thereof BASF Aktiengesellschaft (DE) 1983-03-09 EP 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD IDO1 1826/4885HTR3E 1916/4885HTR3B 1819/4885
US-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 IDO1 4082/4885HTR3E 2489/4885HTR3B 1129/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 IDO1 4082/4885HTR3E 2489/4885HTR3B 1129/4885

“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.