SCHEMBL16619167

SCHEMBL16619167

NC(=O)c1c(-c2ncnc3[nH]cnc23)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 9/20 0.38
▸ AURKA O14965 7/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CSNK1A1 P48729 2/20 0.35
▸ TYRO3 Q06418 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35

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
SCHEMBL16619412 0.81 RPS6KB1 (0.43) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL18066326 0.79 GSK3B (0.41) RPS6KB1AURKAAURKBMEN1KMT2A
SCHEMBL4612903 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1CSNK1A1
SCHEMBL29832249 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1CSNK1A1
SCHEMBL29467366 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1CSNK1A1
SCHEMBL18066324 0.74 PARP1 (0.48) RPS6KB1AURKAAURKBMEN1KMT2A
SCHEMBL18486229 0.73 PARP1 (0.34) MEN1ALDH1A1KMT2APARP1JAK2
SCHEMBL18066310 0.72 PIM1 (0.47) RPS6KB1AURKBPARP1CSNK1A1DYRK1B
SCHEMBL18066309 0.72 PIM1 (0.47) RPS6KB1AURKAAURKBPARP1PRKD3
SCHEMBL18066303 0.71 PRKCI (0.47) RPS6KB1AURKAAURKBPARP1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052500-B1 INHIBITORS OF 5'-NUCLEOTIDASES AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2018-01-03 — — EP claimed
US-9783541-B2 5′-nucleotidase inhibitors and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2017-10-10 — — US claimed
US-20160272643-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-09-22 — — US claimed
EP-3052500-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF Centre National De La Recherche Scientifique (FR) 2016-08-10 — — EP claimed
WO-2015049447-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2015-04-09 — — WO claimed
EP-3052500-B1 INHIBITORS OF 5'-NUCLEOTIDASES AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2018-01-03 — — EP disclosed
US-9783541-B2 5′-nucleotidase inhibitors and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2017-10-10 — — US disclosed
US-20160272643-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-09-22 — — US disclosed
EP-3052500-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF Centre National De La Recherche Scientifique (FR) 2016-08-10 — — EP disclosed
WO-2015049447-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2015-04-09 — — 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-20160272643-A1 5'-NUCLEOTIDASE INHIBITORS AND THERAPEUTIC USES THEREOF NTPCR, NT5E, PNP RPS6KB1 1967/4885AURKA 2015/4885AURKB 1485/4885

“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.

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