SCHEMBL17628115

SCHEMBL17628115

CC(=O)NC1CCCN(c2nc(Cl)nc3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.51
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
OGFRL1 Q5TC84 2/20 0.48
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CNR1 P21554 1/20 0.44
DPP4 P27487 1/20 0.44
BTK Q06187 2/20 0.44
MAPT P10636 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
RAB9A P51151 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
KIF11 P52732 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL17628114 1.00 PRKDC (0.51) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628334 0.93 OPRM1 (0.52) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628336 0.93 OPRM1 (0.52) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17627980 0.84 PRKDC (0.44) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628278 0.84 OPRM1 (0.44) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17627982 0.84 PRKDC (0.44) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628072 0.84 CNR2 (0.47) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628070 0.84 CNR2 (0.47) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628281 0.84 OPRM1 (0.44) PRKDCOPRM1OPRD1OPRK1OGFRL1
SCHEMBL26911669 0.84 OPRM1 (0.49) PRKDCOPRM1OPRD1OPRK1OGFRL1

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 PRKDC 4342/4885OPRM1 769/4885OPRD1 623/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 PRKDC 4342/4885OPRM1 769/4885OPRD1 623/4885

“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.