SCHEMBL16796172

SCHEMBL16796172

COc1cnc(-n2ncc3c(C(N)=O)cccc32)nc1NCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 10/20 0.53
AURKA O14965 10/20 0.53
AURKB Q96GD4 6/20 0.49
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
PDPK1 O15530 1/20 0.46
VCP P55072 2/20 0.45
CCR1 P32246 2/20 0.44
STAT6 P42226 1/20 0.42
TYK2 P29597 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
SCHEMBL16796243 0.91 AURKA (0.47) RPS6KB1AURKAJAK2JAK1JAK3
SCHEMBL18304169 0.90 VCP (0.56) RPS6KB1AURKAAURKBJAK1JAK3
SCHEMBL18304040 0.88 RPS6KB1 (0.50) RPS6KB1AURKAAURKBJAK2JAK1
SCHEMBL18275442 0.87 RPS6KB1 (0.51) RPS6KB1AURKAAURKBJAK2JAK1
SCHEMBL18303848 0.86 VCP (0.47) RPS6KB1AURKAJAK2JAK1JAK3
SCHEMBL16796310 0.86 VCP (0.58) RPS6KB1AURKAAURKBVCP
SCHEMBL16796276 0.85 RPS6KB1 (0.51) RPS6KB1AURKAAURKBJAK2JAK1
SCHEMBL18277053 0.84 RPS6KB1 (0.53) RPS6KB1AURKAAURKBJAK2JAK1
SCHEMBL18303609 0.83 JAK3 (0.53) RPS6KB1AURKAAURKBJAK2JAK1
SCHEMBL16796317 0.83 LMNA (0.47) RPS6KB1AURKAJAK2JAK1JAK3

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 437/4885AURKB 280/4885

“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.