SCHEMBL2646080

SCHEMBL2646080

c1ccc2c(c1)nnc1nn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
LCK P06239 1/20 0.33
MAP2K3 P46734 1/20 0.33
MAP2K6 P52564 1/20 0.33
BTK Q06187 1/20 0.33
MAP3K19 Q56UN5 1/20 0.33
NEK10 Q6ZWH5 1/20 0.33
PARP1 P09874 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL2175700 0.78 MAPT (0.40) LMNAHTTPARP1KDM4ENPC1
SCHEMBL379982 0.71 PARP1 (0.48) GPR3ALDH1A1HSD17B10TDP1PARP1
SCHEMBL30067279 0.71 PARP1 (0.48) GPR3ALDH1A1HSD17B10TDP1PARP1
SCHEMBL30971952 0.71 GPR3 (0.48) GPR3ALDH1A1HSD17B10PARP1KDM4E
SCHEMBL23145214 0.71 GPR3 (0.44) GPR3PARP1PDE4BKDM1AKDM4E
Benzonaphthyridine SCHEMBL51197 0.69 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
Benzonaphthyridine SCHEMBL29600756 0.69 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
Benzonaphthyridine SCHEMBL30897319 0.69 GPR3 (1.00) GPR3CYP1A2CYP2C19ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5807955 0.69 PARP1 (0.47) GPR3ALDH1A1HSD17B10TDP1PARP1
SCHEMBL30345223 0.69 GPR3 (0.52) GPR3CYP1A2CYP2C19NOS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-9394301-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-07-19 US disclosed
US-20150246915-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-09-03 US disclosed
US-9012633-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-04-21 US disclosed
US-20140155594-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-06-05 US disclosed
US-8431596-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-04-30 US disclosed
US-20100298339-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
EP-2217578-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-08-18 EP disclosed
WO-2009047514-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-16 WO disclosed
US-6613766-B1 Compounds such as 3-(5-methylisoxazol-3-yl)-5-(2-pyridyl-methyloxy)-1,2,3a,4,6 -pentaazacyclopenta(a)naphthalene, having high receptivity for the inhibitory neurotransmitter, gamma-aminobutyric acid (GABA); learning enhancement MERCK SHARP & DOHME LTD. 2003-09-02 US disclosed
EP-1129090-A1 PENTAAZA-CYCLOPENTA A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABA A? $g(a)5 RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-09-05 EP disclosed
WO-2000029412-A1 PENTAAZA-CYCLOPENTA[A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABAA α5 RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-05-25 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (4 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-20150246915-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 GPR3 431/4885CYP1A2 3284/4885CYP2C19 3044/4885
US-20100298339-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 GPR3 431/4885CYP1A2 3284/4885CYP2C19 3044/4885
US-20140155594-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 GPR3 431/4885CYP1A2 3284/4885CYP2C19 3044/4885
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 GPR3 431/4885CYP1A2 3284/4885CYP2C19 3044/4885

“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.