SCHEMBL17628388

SCHEMBL17628388

CC(C)(C)OC(=O)NC1CCN(c2nc(Cl)nc3c2CCCC3)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
HRH4 Q9H3N8 3/20 0.47
PDE10A Q9Y233 2/20 0.44
CTSK P43235 2/20 0.43
SUV39H2 Q9H5I1 6/20 0.42
MAP4K4 O95819 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39

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
SCHEMBL17628389 1.00 JAK3 (0.48) JAK3BTKHRH4PDE10ACTSK
SCHEMBL17628415 0.95 BTK (0.54) JAK3BTKHRH4PDE10ACTSK
SCHEMBL17628416 0.95 BTK (0.54) JAK3BTKHRH4PDE10ACTSK
SCHEMBL17628466 0.85 HRH4 (0.53) HRH4PIM3OPRM1OPRD1OPRK1
SCHEMBL17628467 0.85 HRH4 (0.53) HRH4PIM3OPRM1OPRD1OPRK1
SCHEMBL17628108 0.83 HRH4 (0.53) HRH4PIM3OPRM1OPRD1OPRK1
SCHEMBL17628110 0.83 HRH4 (0.53) HRH4PIM3OPRM1OPRD1OPRK1
SCHEMBL17628082 0.82 HRH4 (0.51) HRH4OPRM1OPRK1OGFRL1
SCHEMBL17628042 0.80 HRH4 (0.46) JAK3BTKHRH4CA1CA2
SCHEMBL17628039 0.80 HRH4 (0.46) JAK3BTKHRH4CA1CA2

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 JAK3 617/4885BTK 3602/4885HRH4 4/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 JAK3 617/4885BTK 3602/4885HRH4 4/4885

“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.