SCHEMBL16652173

SCHEMBL16652173

ClC1=NN(c2cccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP2A6 P11509 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38

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
SCHEMBL2730663 0.80 MAPT (0.58) ABL1KDM4ENPC1GLAMAPT
SCHEMBL10417191 0.79 ALOX5 (0.51) ABL1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL16659465 0.79 CYP2A6 (0.45) CHRNB2CHRNA4CYP2A6CYP3A4KDM4E
SCHEMBL2731119 0.76 MAPT (0.73) CHRNB2CHRNA4KDM4ENPC1GLA
SCHEMBL13387644 0.71 ALOX5 (0.43) ABL1KDM4ENPC1GLAMAPT
SCHEMBL2732008 0.69 MAPT (0.50) ABL1KDM4ENPC1GLAMAPT
SCHEMBL16906435 0.69 CYP11B2 (0.45) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL27681500 0.69 MAPT (0.73) CYP2A6CYP3A4KDM4ENPC1GLA
SCHEMBL30720445 0.68 CHRNB2 (0.45) CHRNB2CHRNA4CYP2A6CYP3A4MAPT
SCHEMBL29366505 0.67 CYP2A6 (0.44) CHRNB2CHRNA4CYP2A6CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101392-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2017-04-13 US claimed
US-20160272615-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2016-09-22 US claimed
EP-3057429-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS Dow AgroSciences LLC (US) 2016-08-24 EP claimed
US-20150250177-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-09-10 US claimed
US-9108946-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2015-08-18 US claimed
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 US claimed
WO-2015058021-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 WO claimed
CN-116940560-A Process for producing 3-bromo-1- (3-chloropyridin-2-yl) -1H-pyrazole-5-carboxylic acid ester 石原产业株式会社 2023-10-24 CN disclosed
WO-2022191139-A1 METHOD FOR PRODUCING 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ESTER 石原産業株式会社 2022-09-15 WO disclosed
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-02-15 US disclosed
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-02-15 US disclosed
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-02-15 US disclosed
US-20170101392-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2017-04-13 US disclosed
US-9108946-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
US-9108946-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
WO-2015058021-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 WO disclosed
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
WO-2015058021-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 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 (5 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-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS ABL1 3840/4885CHRNB2 1722/4885CHRNA4 2441/4885
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS ABL1 3840/4885CHRNB2 1722/4885CHRNA4 2441/4885
US-20170101392-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS ABL1 3840/4885CHRNB2 1722/4885CHRNA4 2441/4885
US-20160272615-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS ABL1 3840/4885CHRNB2 1722/4885CHRNA4 2441/4885
US-20150250177-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS ABL1 3840/4885CHRNB2 1722/4885CHRNA4 2441/4885

“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.