SCHEMBL16796276

SCHEMBL16796276

COc1cnc(-n2c(CN)cc3c(C(N)=O)cccc32)nc1NCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 6/20 0.51
AURKA O14965 4/20 0.51
VCP P55072 13/20 0.48
AURKB Q96GD4 1/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
PDPK1 O15530 1/20 0.42
PRKDC P78527 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
SCHEMBL16796292 0.92 VCP (0.54) RPS6KB1AURKAVCPAURKBPRKDC
SCHEMBL18303805 0.91 VCP (0.59) VCPPRKDC
SCHEMBL16796310 0.90 VCP (0.58) RPS6KB1AURKAVCPAURKBPRKDC
SCHEMBL16796212 0.90 RPS6KB1 (0.49) RPS6KB1AURKAVCPAURKBJAK2
SCHEMBL16796353 0.90 VCP (0.49) RPS6KB1AURKAVCPAURKBJAK2
SCHEMBL18303023 0.89 RPS6KB1 (0.48) RPS6KB1AURKAVCPAURKBJAK2
SCHEMBL16796147 0.88 RPS6KB1 (0.47) RPS6KB1AURKAVCPAURKBJAK2
SCHEMBL16796294 0.86 AURKA (0.43) RPS6KB1AURKAVCPJAK2JAK1
SCHEMBL16796172 0.85 RPS6KB1 (0.53) RPS6KB1AURKAVCPAURKBJAK2
SCHEMBL16796167 0.84 VCP (0.55) RPS6KB1AURKAVCPPRKDC

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 RPS6KB1 1162/4885AURKA 437/4885VCP 67/4885

“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.