SCHEMBL16458941

SCHEMBL16458941

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1C(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KLK7 P49862 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
PDE4B Q07343 2/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UCHL1 P09936 2/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL375890 0.91 PDE4B (0.43) HSD17B10PDE4BEPHX1HPGDGPR119
SCHEMBL6992304 0.85 HSD17B10 (0.47) HSD17B10NR1H2NR1H3SMN1; SMN2NPC1
SCHEMBL9937434 0.83 CHRM2 (0.37) EPHX1
SCHEMBL9965340 0.83 PARP1 (0.53) KLK7SMN1; SMN2NPC1PDE4B
SCHEMBL28003378 0.83 PARP1 (0.53) KLK7SMN1; SMN2NPC1PDE4B
SCHEMBL28003380 0.82 HSD17B10 (0.51) HSD17B10KLK7SMN1; SMN2NPC1EPHX2
SCHEMBL28060561 0.82 NR1H2 (0.53) HSD17B10NR1H2NR1H3SMN1; SMN2NPC1
SCHEMBL29695403 0.82 HSD17B10 (0.50) HSD17B10NR1H2NR1H3SMN1; SMN2NPC1
SCHEMBL13604577 0.81 HSD17B10 (0.45) HSD17B10SMN1; SMN2PDE4BEPHX1HPGD
SCHEMBL5253414 0.81 HSD17B10 (0.45) HSD17B10SMN1; SMN2PDE4BEPHX1HPGD

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 5 patents. 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
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-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2015-12-24 US disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 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 (3 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-20170157118-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CSF1R, CSF3R, FLT3 HSD17B10 4299/4885KLK7 1728/4885NR1H2 2067/4885
US-20140010762-A1 IMAGING AGENTS CES1, CES2, NCEH1 HSD17B10 34/4885KLK7 3149/4885NR1H2 938/4885
US-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CSF1R, CSF3R, FLT3 HSD17B10 4299/4885KLK7 1728/4885NR1H2 2067/4885

“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.