SCHEMBL2472564

SCHEMBL2472564

Cc1ccc(N=CN)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
ADRA2A P08913 1/20 0.60
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
LMNA P02545 6/20 0.49
HTT P42858 4/20 0.49
MAPT P10636 7/20 0.47
GAA P10253 4/20 0.47
POLB P06746 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
MPI P34949 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL20663205 0.83 DHODH (0.47) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL6245212 0.82 CYP3A4 (0.64) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL21131297 0.80 CYP3A4 (0.62) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL8292092 0.80 CYP3A4 (0.62) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL25455975 0.78 CYP3A4 (0.38) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL9419533 0.78 CYP3A4 (0.55) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL4581102 0.77 CYP3A4 (0.58) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL21239231 0.76 LMNA (0.41) CYP3A4ADRA2AALDH1A1KDM4ELMNA
Amitraz SCHEMBL9026554 0.76 CYP3A4 (0.83) CYP3A4ADRA2AALDH1A1KDM4ELMNA
SCHEMBL22366968 0.75 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960016-A Preparation method of N-methyl-bis (2, 4-xylyliminomethyl) amine 常州齐晖药业有限公司 2023-04-14 CN claimed
CN-115960016-A Preparation method of N-methyl-bis (2, 4-xylyliminomethyl) amine 常州齐晖药业有限公司 2023-04-14 CN disclosed
CN-115960016-A Preparation method of N-methyl-bis (2, 4-xylyliminomethyl) amine 常州齐晖药业有限公司 2023-04-14 CN disclosed
CN-115960016-A Preparation method of N-methyl-bis (2, 4-xylyliminomethyl) amine 常州齐晖药业有限公司 2023-04-14 CN disclosed
EP-2550962-B1 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2019-10-30 EP disclosed
CN-104397013-A Efficient insecticide containing cyphenothrin, amitraz and transfluthrin QINGDAO SHINAN DISTR LONGDE TRADITIONAL CHINESE MEDICINE INST 2015-03-11 CN disclosed
CN-104336054-A Efficient cyphenothrin, amitraz and bensulide-containing insecticide QINGDAO KANGHE FOOD CO LTD 2015-02-11 CN disclosed
CN-104273162-A Efficient insecticide containing chlorfenvinphos, cyphenothrin and amitraz Qingdao yongtong elevator engineering co ltd 2015-01-14 CN disclosed
CN-104273160-A High-efficiency insecticide containing flonicamid, cyphenothrin and amitraz QINGDAO RUNXIN WEIYE SCIENCE & TRADING CO LTD 2015-01-14 CN disclosed
EP-2550962-A2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof Merial Limited (US) 2013-01-30 EP disclosed
EP-2364147-A2 COMPOSITIONS COMPRISING 1-ARYLPYRAZOLE ALONE OR IN COMBINATION WITH FORMAMIDINE FOR THE TREATMENT OF PARASITIC INFECTION Merial Limited (US) 2011-09-14 EP disclosed
WO-2010059529-A2 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2010-05-27 WO disclosed
CN-1237054-C Insecticidal and acaricidal agents AGERO KANSHO CO LTD (JP) 2006-01-18 CN disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
CN-1399515-A Insecticidal and acaricidal agents AGERO KANSHO CO LTD (JP) 2003-02-26 CN disclosed
CN-1176960-A Novel ester compounds, pesticidal compositions containing same and intermediates for synthesis thereof SUMITOMO CHEMICAL CO (JP) 1998-03-25 CN 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 (1 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-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 CYP3A4 206/4885ADRA2A 1658/4885ALDH1A1 239/4885

“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.