SCHEMBL10127488

SCHEMBL10127488

CC(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.71
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
PTPN6 P29350 1/20 0.62
MAPT P10636 2/20 0.59
JAK2 O60674 1/20 0.59
JAK3 P52333 1/20 0.59
PTK2 Q05397 1/20 0.59
SLC18A3 Q16572 1/20 0.55
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR119 Q8TDV5 4/20 0.50
FPR2 P25090 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL7667693 0.88 NAMPT (0.69) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL6917548 0.87 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL5664016 0.86 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL16835041 0.86 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL20354696 0.86 NAMPT (0.66) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL21965379 0.86 NAMPT (0.66) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL2878255 0.85 NAMPT (0.57) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL4243010 0.85 ALDH1A1 (0.73) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL8986417 0.84 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6MAPT
SCHEMBL15587463 0.84 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NAMPT 1441/4885PTPN2 2171/4885PTPN1 1801/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NAMPT 1441/4885PTPN2 2171/4885PTPN1 1801/4885

“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.