SCHEMBL4784567

SCHEMBL4784567

Clc1ccc2nnc(-c3ccccc3)n2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ADORA2A P29274 1/20 0.65
ADORA2B P29275 1/20 0.65
ADORA1 P30542 1/20 0.65
CREBBP Q92793 1/20 0.65
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PIM1 P11309 5/20 0.55
AURKB Q96GD4 2/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
LYN P07948 1/20 0.55
SRC P12931 1/20 0.55
FLT4 P35916 1/20 0.55
FLT3 P36888 1/20 0.55
BLK P51451 1/20 0.55

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
SCHEMBL32664934 0.86 ALDH1A1 (0.56) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL16456325 0.84 KDM4E (0.55) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL24401671 0.83 DPP4 (0.54) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL32665417 0.83 DYRK3 (0.58) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL29617977 0.83 DPP4 (0.54) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL15365749 0.83 HSD17B10 (0.58) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL14852007 0.83 HPGD (0.53) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL15365501 0.81 KDM4E (0.65) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL12874554 0.81 DYRK3 (0.60) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL2646931 0.80 KDM4E (0.67) BRD4ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444518-A Green synthesis method of condensed ring triazole compound 台州学院 2023-07-18 CN disclosed
US-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES SAINT LOUIS UNIVERSITY 2023-07-06 US disclosed
US-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES SAINT LOUIS UNIVERSITY 2023-07-06 US disclosed
WO-2021252505-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2021-12-16 WO disclosed
US-8865719-B2 Substituted heterocycles and their use as allosteric modulators of nicotinic and GABAA receptors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 US disclosed
US-20120077816-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS ALLOSTERIC MODULATORS OF NICOTINIC AND GABAA RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-29 US disclosed
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed
US-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
CN-1060843-A TRIAZOLOPYRIDAZINE DERIVATES RHONE POULENC AGROCHIMIE (FR) 1992-05-06 CN disclosed
EP-0483027-A2 Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1992-04-29 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 (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-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES AADAC, PAICS, PNPO BRD4 1097/4885ADORA3 763/4885ADORA2A 678/4885
US-20120077816-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS ALLOSTERIC MODULATORS OF NICOTINIC AND GABAA RECEPTORS CHRNA7, CHRNA5, CHRNA1 BRD4 738/4885ADORA3 127/4885ADORA2A 111/4885

“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.