SCHEMBL16619412

SCHEMBL16619412

NC(=O)c1ccc2ccccc2c1-c1ncnc2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 17/20 0.43
▸ AURKA O14965 15/20 0.43
▸ AURKB Q96GD4 4/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ WDR5 P61964 1/20 0.39
▸ PDPK1 O15530 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16619167 0.81 RPS6KB1 (0.38) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL16619215 0.77 PARP1 (0.46) RPS6KB1AURKAAURKBPARP1
SCHEMBL4612903 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL29467366 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL29832249 0.77 PARP1 (0.50) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL18066324 0.74 PARP1 (0.48) RPS6KB1AURKAAURKBPARP1PDPK1
SCHEMBL30565302 0.74 JAK2 (0.34) RPS6KB1AURKAAURKBSMN1; SMN2
SCHEMBL6748668 0.73 WDR5 (0.68) WDR5KDM4EPOLBSMN1; SMN2
SCHEMBL16619169 0.72 MAPT (0.50) RPS6KB1AURKAAURKBKDM4EPOLB
SCHEMBL29013084 0.69 WDR5 (0.49) PARP1WDR5KDM4ESMN1; SMN2

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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