SCHEMBL18066324

SCHEMBL18066324

NC(=O)c1ccccc1-c1ccccc1-c1ncnc2[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.48
▸ NUDT1 P36639 1/20 0.47
▸ CSNK1A1 P48729 2/20 0.46
▸ TYRO3 Q06418 2/20 0.46
▸ DYRK1B Q9Y463 2/20 0.46
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 1/20 0.43

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
SCHEMBL29832249 0.94 PARP1 (0.50) PARP1NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL29467366 0.94 PARP1 (0.50) PARP1NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL4612903 0.94 PARP1 (0.50) PARP1NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL18066310 0.82 PIM1 (0.47) PARP1CSNK1A1DYRK1BDAPK3PRKD3
SCHEMBL16619215 0.81 PARP1 (0.46) PARP1NUDT1CSNK1A1TYRO3DYRK1B
SCHEMBL18066303 0.80 PRKCI (0.47) PARP1PRKD3MAP4K4PAK4ABL1
SCHEMBL18066326 0.78 GSK3B (0.41) PARP1CSNK1A1TYRO3DYRK1BDAPK3
SCHEMBL16619412 0.74 RPS6KB1 (0.43) PARP1RPS6KB1AURKAPDPK1AURKB
SCHEMBL16619167 0.74 RPS6KB1 (0.38) PARP1CSNK1A1TYRO3DYRK1BDAPK3
SCHEMBL18066309 0.74 PIM1 (0.47) PARP1PRKD3MAP4K4PAK4ABL1

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 6 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-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

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 PARP1 85/4885NUDT1 13/4885CSNK1A1 2384/4885

“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.

Send feedback