SCHEMBL17628237

SCHEMBL17628237

CN(C(=O)O)C1CCN(c2nc(Cl)nc3cccnc23)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.43
PDE10A Q9Y233 5/20 0.42
PRKDC P78527 2/20 0.41
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
JAK1 P23458 3/20 0.38
KMT2A Q03164 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
SCHEMBL17667317 0.86 PDE10A (0.56) JAK2JAK3PDE10APRKDCMAP4K4
SCHEMBL17667319 0.85 JAK2 (0.39) JAK2JAK3PDE10AHRH4
SCHEMBL17628165 0.85 JAK2 (0.39) OPRM1OPRD1OPRK1OGFRL1JAK2
SCHEMBL14895452 0.83 PRKDC (0.41) OPRM1OPRD1OPRK1OGFRL1JAK2
SCHEMBL17627940 0.83 JAK2 (0.37) OPRM1OPRD1OPRK1OGFRL1JAK2
SCHEMBL18204514 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1OGFRL1JAK2
SCHEMBL17667297 0.81 PRKDC (0.40) JAK2JAK3PDE10APRKDCHRH4
SCHEMBL17667296 0.81 PRKDC (0.40) JAK2JAK3PDE10APRKDCHRH4
SCHEMBL17627958 0.79 OPRK1 (0.44) OPRM1OPRK1OGFRL1PDE10APIK3CA
SCHEMBL17628004 0.78 CNR2 (0.53) OPRM1OPRD1OPRK1OGFRL1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORPORATION (KR) 2017-06-01 US disclosed
EP-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORP (KR) 2016-03-31 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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 OPRM1 769/4885OPRD1 623/4885OPRK1 977/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 OPRM1 769/4885OPRD1 623/4885OPRK1 977/4885

“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.