SCHEMBL2899534

SCHEMBL2899534

CC(C)c1ncc(C(=O)N2CCNCC2)c(NCc2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ADORA2B P29275 2/20 0.40
ADORA2A P29274 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
REN P00797 1/20 0.40
PIP4K2C Q8TBX8 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
KHK P50053 1/20 0.39
ADORA1 P30542 1/20 0.39
PTPN11 Q06124 1/20 0.39
SLC6A4 P31645 1/20 0.38
NTRK1 P04629 1/20 0.38
STAT6 P42226 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL2900156 0.84 STAT6 (0.41) JAK3RENNTRK1STAT6
SCHEMBL2896332 0.84 VNN1 (0.48) JAK3ADORA2BADORA2ASTAT6
SCHEMBL2897231 0.81 HRH4 (0.40) JAK3RENNTRK1RXFP1
SCHEMBL2899887 0.79 LRRK2 (0.38) JAK3RENNTRK1RXFP1
SCHEMBL2903504 0.68 REN (0.53) ALDH1A1REN
SCHEMBL12991391 0.68 REN (0.60) ALDH1A1TSHRREN
SCHEMBL2900591 0.67 REN (0.53) ALDH1A1REN
SCHEMBL8521213 0.67 SCN9A (0.45) L3MBTL1REN
SCHEMBL2902021 0.67 REN (0.58) ALDH1A1REN
SCHEMBL2898714 0.67 REN (0.57) TSHRREN

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 JAK3 4011/4885ALDH1A1 897/4885ADORA2B 2560/4885

“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.