SCHEMBL17628201

SCHEMBL17628201

CCCCCCN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nc(Cl)nc3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
CHEK2 O96017 4/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
GBA1 P04062 2/20 0.38
TLR7 Q9NYK1 1/20 0.37
HSD11B1 P28845 1/20 0.37
CCR5 P51681 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL17628197 1.00 PDE10A (0.43) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17627989 0.99 PDE10A (0.43) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17627993 0.99 PDE10A (0.43) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17628179 0.97 PDE10A (0.44) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17628180 0.97 PDE10A (0.44) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17628182 0.93 PDE10A (0.45) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17628186 0.93 PDE10A (0.45) PDE10ACHEK2JAK2JAK3GBA1
SCHEMBL17627940 0.76 JAK2 (0.37) PDE10AJAK2JAK3
SCHEMBL17628044 0.73 PDE10A (0.56) PDE10AJAK3GBA1
SCHEMBL17628041 0.73 PDE10A (0.56) PDE10AJAK3GBA1

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 PDE10A 1746/4885CHEK2 3031/4885JAK2 612/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 PDE10A 1746/4885CHEK2 3031/4885JAK2 612/4885

“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.