SCHEMBL2898749

SCHEMBL2898749

CCOCCNc1nc(C(C)C)ncc1C(=O)N1CCC(N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.47
CXCR4 P61073 1/20 0.35
CDK2 P24941 4/20 0.35
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
GSK3A P49840 2/20 0.35
RPS6KA5 O75582 2/20 0.35
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
AKT3 Q9Y243 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
MARK3 P27448 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35

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
SCHEMBL2897413 0.87 MERTK (0.61) MERTKSYKTLR8TLR7
SCHEMBL2901084 0.86 MERTK (0.49) MERTKLRRK2RENALDH1A1JAK3
SCHEMBL2900049 0.84 MERTK (0.47) MERTKCXCR4CDK2RENALDH1A1
SCHEMBL2900897 0.79 ALDH1A1 (0.41) RENALDH1A1JAK3JAK1JAK2
SCHEMBL2899621 0.77 MERTK (0.44) MERTKLRRK2ALDH1A1
SCHEMBL2902620 0.71 MERTK (0.60) MERTKRENSYKTLR8TLR7
SCHEMBL2902684 0.70 MERTK (0.49) MERTKLRRK2RENJAK3SYK
SCHEMBL2897231 0.69 HRH4 (0.40) ROCK1GSK3ARPS6KA5AKT1AKT2
SCHEMBL2903504 0.68 REN (0.53) MERTKRENALDH1A1
SCHEMBL2900591 0.66 REN (0.53) RENALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT MERTK 3317/4885CXCR4 4750/4885CDK2 766/4885

“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.