SCHEMBL16796246

SCHEMBL16796246

COc1cnc(-n2c(C)nc3c(C(N)=O)cccc32)nc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCP P55072 14/20 0.53
RPS6KB1 P23443 4/20 0.52
AURKA O14965 3/20 0.52
CD38 P28907 1/20 0.46
PARP1 P09874 1/20 0.45
PRKDC P78527 1/20 0.44

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
SCHEMBL16796093 0.92 RPS6KB1 (0.56) VCPRPS6KB1AURKA
SCHEMBL16796146 0.91 VCP (0.52) VCPRPS6KB1AURKA
SCHEMBL16796248 0.89 VCP (0.52) VCPRPS6KB1AURKACD38PRKDC
SCHEMBL16796100 0.87 VCP (0.52) VCPRPS6KB1AURKACD38PRKDC
SCHEMBL16796233 0.86 VCP (0.49) VCPRPS6KB1AURKACD38PRKDC
SCHEMBL16796082 0.86 VCP (0.68) VCPPRKDC
SCHEMBL16796372 0.85 VCP (0.49) VCPRPS6KB1AURKACD38PRKDC
SCHEMBL16796141 0.85 VCP (0.48) VCPRPS6KB1AURKACD38PARP1
SCHEMBL16796073 0.84 VCP (0.52) VCPRPS6KB1AURKACD38PARP1
SCHEMBL16796046 0.84 VCP (0.49) VCPRPS6KB1AURKACD38PARP1

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 67/4885RPS6KB1 1162/4885AURKA 437/4885

“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.