SCHEMBL9965340

SCHEMBL9965340

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
KLK7 P49862 2/20 0.52
PDE4B Q07343 2/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
FKBP1A P62942 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PREP P48147 1/20 0.45
HTT P42858 1/20 0.45
KLK5 Q9Y337 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL28003378 1.00 PARP1 (0.53) PARP1KLK7PDE4BPDK1PDK2
SCHEMBL3782792 0.96 KLK7 (0.50) PARP1KLK7PDE4BPDK1PDK2
SCHEMBL15606326 0.89 PARP1 (0.57) PARP1KLK7PDK1PDK2PDK3
SCHEMBL30289174 0.89 PARP1 (0.57) PARP1KLK7PDK1PDK2PDK3
SCHEMBL20129643 0.87 PARP1 (0.55) PARP1KLK7PDE4BPDK1PDK2
SCHEMBL13681760 0.87 PARP1 (0.55) PARP1KLK7PDE4BPDK1PDK2
SCHEMBL2820733 0.87 PARP1 (0.55) PARP1KLK7PDE4BPDK1PDK2
SCHEMBL6335353 0.86 PARP1 (0.54) PARP1KLK7PDK1PDK2PDK3
SCHEMBL17153137 0.85 PARP1 (0.53) PARP1KLK7PDK1PDK2PDK3
SCHEMBL21528001 0.85 PDK1 (0.55) PARP1KLK7PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-104583199-A 2-aminopyrazine derivatives as CSF-1R kinase inhibitors CHROMA THERAPEUTICS LTD 2015-04-29 CN disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
WO-2014001802-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2014-01-03 WO disclosed
WO-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 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 (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 PARP1 1962/4885KLK7 1728/4885PDE4B 2876/4885
US-20140010762-A1 IMAGING AGENTS CES1, CES2, NCEH1 PARP1 3134/4885KLK7 3149/4885PDE4B 3245/4885
US-20150368210-A1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1 R KINASE INHIBITORS CSF1R, CSF3R, FLT3 PARP1 1962/4885KLK7 1728/4885PDE4B 2876/4885

“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.