SCHEMBL619864

SCHEMBL619864

CN1[C@@H]2CC[C@H]1CC(C#N)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
LMNA P02545 1/20 0.48
CHRM1 P11229 7/20 0.39
CHRM3 P20309 4/20 0.39
CHRM2 P08172 3/20 0.39
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A4 P31645 4/20 0.32
DRD3 P35462 3/20 0.32
HRH1 P35367 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 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
SCHEMBL5679108 1.00 CYP2C9 (0.48) CYP2C9LMNACHRM1CHRM3CHRM2
SCHEMBL6618128 1.00 CYP2C9 (0.48) CYP2C9LMNACHRM1CHRM3CHRM2
SCHEMBL14536225 1.00 CYP2C9 (0.48) CYP2C9LMNACHRM1CHRM3CHRM2
SCHEMBL6615911 0.91 MAPK1 (0.40) CYP2C9LMNACHRM1CHRM3CHRM2
SCHEMBL6616075 0.91 MAPK1 (0.40) CYP2C9LMNACHRM1CHRM3CHRM2
SCHEMBL7228894 0.79 KDM4E (0.31)
SCHEMBL7228899 0.79 KDM4E (0.31)
SCHEMBL7690956 0.79 HTR3A (0.33)
SCHEMBL11093871 0.76
SCHEMBL6575595 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 EP disclosed
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
US-20160046620-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-18 US disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 CYP2C9 4523/4885LMNA 773/4885CHRM1 3729/4885
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B CYP2C9 4169/4885LMNA 621/4885CHRM1 2891/4885
US-20160046620-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS CRY1, DDT, CYC1 CYP2C9 1123/4885LMNA 1870/4885CHRM1 139/4885
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH CYP2C9 943/4885LMNA 1992/4885CHRM1 162/4885

“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.