SCHEMBL2897231

SCHEMBL2897231

CC(C)CNc1nc(C(C)C)ncc1C(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPA1 O75762 2/20 0.38
JAK3 P52333 3/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
REN P00797 1/20 0.37
ROCK1 Q13464 2/20 0.37
RPS6KA5 O75582 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
LRRK2 Q5S007 2/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 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
SCHEMBL2899887 0.86 LRRK2 (0.38) JAK3JAK2RENROCK1RPS6KA5
SCHEMBL2900156 0.83 STAT6 (0.41) JAK3JAK2JAK1RENROCK1
SCHEMBL2899534 0.81 JAK3 (0.41) JAK3RENNTRK1RXFP1
SCHEMBL2896332 0.81 VNN1 (0.48) TRPA1JAK3JAK2
SCHEMBL2901084 0.69 MERTK (0.49) JAK3RENLRRK2TYRO3
SCHEMBL2898749 0.69 MERTK (0.47) JAK3JAK2JAK1RENROCK1
SCHEMBL8521213 0.68 SCN9A (0.45) KCNH2RENCDK8
SCHEMBL2899621 0.68 MERTK (0.44) LRRK2AURKALCKTNK2RXFP1
SCHEMBL6824372 0.67 REN (0.46) TRPA1RENLRRK2
SCHEMBL19105545 0.64 SIGMAR1 (0.42) KCNH2RENPAK4RXFP1

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 HRH4 678/4885CTSK 333/4885CTSL 227/4885

“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.