SCHEMBL16619108

SCHEMBL16619108

O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5C2 P49902 2/20 0.69
NT5E P21589 1/20 0.69
BRD4 O60885 2/20 0.53
CREBBP Q92793 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GRM5 P41594 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.45
NR1H4 Q96RI1 1/20 0.44
CSF1R P07333 1/20 0.44
PDPK1 O15530 1/20 0.44
EGFR P00533 1/20 0.43
AURKB Q96GD4 1/20 0.43
HDAC1 Q13547 2/20 0.43
SERPINE1 P05121 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 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
SCHEMBL16618808 0.90 NT5C2 (0.67) NT5C2NT5EBRD4CSF1RPDPK1
SCHEMBL23123 0.90 BRD4 (0.64) NT5C2NT5EBRD4CREBBPCSF1R
SCHEMBL8381773 0.88 BRD4 (0.63) NT5C2NT5EBRD4CREBBPCSF1R
SCHEMBL6463473 0.86 BRD4 (0.60) NT5C2NT5EBRD4CREBBPCSF1R
SCHEMBL2623134 0.85 KCNQ3 (0.51) NT5C2NT5EBRD4CREBBPGRM5
SCHEMBL16619414 0.82 NPC1 (0.48) NT5C2NT5EBRD4SIRT2
SCHEMBL18066325 0.80 CHRNB2 (0.50) NT5C2NT5EBRD4
SCHEMBL2623133 0.76 BRD4 (0.49) NT5C2BRD4CREBBP
SCHEMBL18486378 0.76 TOP2A (0.49) NT5C2NT5EEGFR
SCHEMBL16619169 0.75 MAPT (0.50) BRD4HDAC8AURKB

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 NT5C2 5/4885NT5E 2/4885BRD4 1545/4885

“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.