SCHEMBL15715907

SCHEMBL15715907

CC(C#N)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GPR119 Q8TDV5 8/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL888755 0.83 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4792282 0.79 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14168685 0.79 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL12247863 0.79 DPP4 (0.51) HPGDRECQLALDH1A1MAPTKMT2A
SCHEMBL15715914 0.79 MEN1 (0.35) ALDH1A1MAPTKMT2AMEN1DPP4
SCHEMBL22361453 0.78 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15716065 0.77 DPP4 (0.31) DPP4HRH3
SCHEMBL6106540 0.77 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL311155 0.77 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL23635334 0.77 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-9546156-B2 N-bicyclic aryl,N'-pyrazolyl urea, thiourea, guanidine cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-01-17 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
WO-2014078328-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 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 (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-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K HPGD 2322/4885RECQL 2248/4885PTPN2 1145/4885
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TNNI3K, CHUK HPGD 2014/4885RECQL 1974/4885PTPN2 1173/4885

“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.