SCHEMBL16796151

SCHEMBL16796151

COc1nc2c(C(N)=O)cccc2n1-c1ncc(OC(C)C)c(NCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCP P55072 12/20 0.47
AURKA O14965 5/20 0.46
RPS6KB1 P23443 5/20 0.46
CD38 P28907 1/20 0.42
AURKB Q96GD4 1/20 0.41
PARP1 P09874 1/20 0.41
PRKDC P78527 1/20 0.40

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
SCHEMBL16796146 0.92 VCP (0.52) VCPAURKARPS6KB1AURKB
SCHEMBL16796119 0.92 RPS6KB1 (0.51) VCPAURKARPS6KB1AURKB
SCHEMBL16796141 0.90 VCP (0.48) VCPAURKARPS6KB1CD38PARP1
SCHEMBL16796262 0.89 VCP (0.47) VCPAURKARPS6KB1CD38PARP1
SCHEMBL16796312 0.89 VCP (0.49) VCPAURKARPS6KB1CD38
SCHEMBL16796046 0.87 VCP (0.49) VCPAURKARPS6KB1CD38PARP1
SCHEMBL16796288 0.86 VCP (0.48) VCPAURKARPS6KB1CD38PARP1
SCHEMBL18303955 0.85 RPS6KB1 (0.48) VCPAURKARPS6KB1CD38PARP1
SCHEMBL16796203 0.85 VCP (0.47) VCPAURKARPS6KB1CD38PARP1
SCHEMBL16796211 0.85 VCP (0.47) VCPAURKARPS6KB1CD38PARP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US claimed
EP-3080101-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2016-10-19 EP claimed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 WO claimed
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US disclosed
EP-3080101-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2016-10-19 EP disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 WO 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 (1 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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 VCP 67/4885AURKA 437/4885RPS6KB1 1162/4885

“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.