SCHEMBL17628272

SCHEMBL17628272

CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nc(Cl)nc3c2CCCC3)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.46
PDE10A Q9Y233 3/20 0.45
AAK1 Q2M2I8 1/20 0.40
HSD11B1 P28845 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
KDM4D Q6B0I6 1/20 0.35
PIK3CD O00329 1/20 0.35
RET P07949 1/20 0.35
KIF18A Q8NI77 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFTR P13569 1/20 0.33
CTSS P25774 1/20 0.33
GBA1 P04062 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL17628270 1.00 SPR (0.46) SPRPDE10AAAK1HSD11B1HRH4
SCHEMBL17667274 0.95 SPR (0.43) SPRPDE10AAAK1HSD11B1HRH4
SCHEMBL17667288 0.93 SPR (0.45) SPRPDE10AAAK1HSD11B1HRH4
SCHEMBL17628208 0.87 CFTR (0.42) SPRPDE10AAAK1HSD11B1HRH4
SCHEMBL17628211 0.87 CFTR (0.42) SPRPDE10AAAK1HSD11B1HRH4
SCHEMBL17628349 0.83 HRH4 (0.41) SPRHRH4LMNATSHRNR4A1
SCHEMBL17627935 0.80 PRKDC (0.39) HRH4LMNATSHRNR4A1SMN1; SMN2
SCHEMBL17628389 0.79 JAK3 (0.48) PDE10AHRH4JAK3
SCHEMBL17628388 0.79 JAK3 (0.48) PDE10AHRH4JAK3
SCHEMBL17628075 0.78 PRKDC (0.39) SPRHRH4LMNATSHRNR4A1

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 SPR 1238/4885PDE10A 1746/4885AAK1 3584/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 SPR 1238/4885PDE10A 1746/4885AAK1 3584/4885

“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.