SCHEMBL17628165

SCHEMBL17628165

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
PDE10A Q9Y233 5/20 0.38
CFTR P13569 2/20 0.38
ACKR3 P25106 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CHEK2 O96017 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RORC P51449 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL17627940 0.94 JAK2 (0.37) JAK2JAK3UBE2MDCUN1D1PDE10A
SCHEMBL17667319 0.89 JAK2 (0.39) JAK2JAK3UBE2MDCUN1D1PDE10A
SCHEMBL17628237 0.85 OPRM1 (0.46) JAK2JAK3PDE10AHRH4PIK3CA
SCHEMBL17667297 0.77 PRKDC (0.40) JAK2JAK3PDE10AHRH4PIK3CA
SCHEMBL17667296 0.77 PRKDC (0.40) JAK2JAK3PDE10AHRH4PIK3CA
SCHEMBL17667317 0.77 PDE10A (0.56) JAK2JAK3PDE10A
SCHEMBL17628186 0.75 PDE10A (0.45) JAK2JAK3PDE10AL3MBTL1CHEK2
SCHEMBL17628182 0.75 PDE10A (0.45) JAK2JAK3PDE10AL3MBTL1CHEK2
SCHEMBL17627958 0.75 OPRK1 (0.44) PDE10AACKR3PIK3R1PIK3CAMTOR
SCHEMBL17628307 0.75 HRH4 (0.38) JAK2CFTRHRH4KMT2A

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 JAK2 612/4885JAK3 617/4885UBE2M 4798/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 JAK2 612/4885JAK3 617/4885UBE2M 4798/4885

“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.