SCHEMBL7900879

SCHEMBL7900879

NC1(C(=O)OC2CCCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 2/20 0.38
STS P08842 4/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
NAAA Q02083 2/20 0.34
PRSS1 P07477 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
HTT P42858 1/20 0.33
CHRM3 P20309 1/20 0.32
CYP19A1 P11511 2/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL26276749 0.98 CYP2C19 (0.44) CYP2C19EPHX1STSCA1CA2
Hydrochloric Acid SCHEMBL28854896 0.96 CYP2C19 (0.43) CYP2C19EPHX1STSCA1CA2
SCHEMBL181447 0.96 CYP2C19 (0.46) CYP2C19EPHX1STSCA1CA2
SCHEMBL3781529 0.94 CYP2C19 (0.49) CYP2C19EPHX1STSCA1CA2
SCHEMBL2706509 0.94 CYP2C19 (0.43) CYP2C19EPHX1STSCA1CA2
SCHEMBL10072546 0.85 CYP2C19 (0.38) CYP2C19EPHX1CA1CA2CA12
SCHEMBL9895770 0.78 CYP2D6 (0.44) CYP2C19STS
SCHEMBL16086274 0.77 CYP2C19 (0.47) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086282 0.74 CYP2C19 (0.48) CYP2C19EPHX1CA1CA2CA12
SCHEMBL1433032 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864318-B1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1R KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2017-08-09 EP disclosed
EP-2864318-B1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1R KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2017-08-09 EP disclosed
US-20170157118-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS MACROPHAGE PHARMA LIMITED (GB) 2017-06-08 US disclosed
US-20170157118-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS MACROPHAGE PHARMA LIMITED (GB) 2017-06-08 US disclosed
US-20170157118-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS MACROPHAGE PHARMA LIMITED (GB) 2017-06-08 US disclosed
US-9604940-B2 2-aminopyrazine derivatives as CSF-1R kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2017-03-28 US disclosed
US-9604940-B2 2-aminopyrazine derivatives as CSF-1R kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2017-03-28 US disclosed
US-9604940-B2 2-aminopyrazine derivatives as CSF-1R kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2017-03-28 US disclosed
US-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2015-12-24 US disclosed
US-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2015-12-24 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
WO-2014001802-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2014-01-03 WO disclosed
WO-2014001802-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2014-01-03 WO disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US disclosed
WO-2012025701-A1 ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-03-01 WO disclosed
WO-2010097586-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-09-02 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 CYP2C19 1581/4885EPHX1 887/4885STS 418/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 CYP2C19 2170/4885EPHX1 1882/4885STS 1450/4885
US-20170157118-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CSF1R, CSF3R, FLT3 CYP2C19 4186/4885EPHX1 3047/4885STS 3026/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 CYP2C19 1917/4885EPHX1 982/4885STS 390/4885
US-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CSF1R, CSF3R, FLT3 CYP2C19 4186/4885EPHX1 3047/4885STS 3026/4885

“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.