SCHEMBL16619169

SCHEMBL16619169

O=C(Nc1ncnc2[nH]cnc12)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DEGS1 O15121 1/20 0.46
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
BRD4 O60885 3/20 0.45
PLK1 P53350 1/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
AURKB Q96GD4 2/20 0.44
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 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
SCHEMBL18066325 0.80 CHRNB2 (0.50) MAPTGAAPOLBBRD4ALDH1A1
SCHEMBL23123 0.79 BRD4 (0.64) NPC1RAB9APOLBBRD4AURKA
SCHEMBL8381773 0.78 BRD4 (0.63) NPC1RAB9APOLBBRD4AURKA
SCHEMBL16619414 0.78 NPC1 (0.48) KDM4EDEGS1NPC1RAB9AKMT2A
SCHEMBL7493930 0.77 KMT2A (0.43) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11842236 0.76 MMP3 (0.65) MAPTKDM4ESMN1; SMN2DEGS1MMP3
SCHEMBL6463473 0.75 BRD4 (0.60) NPC1RAB9ABRD4AURKARPS6KB1
SCHEMBL16619108 0.75 NT5C2 (0.69) HDAC8BRD4AURKB
SCHEMBL16618808 0.74 NT5C2 (0.67) SMN1; SMN2DEGS1NPC1RAB9AKMT2A
SCHEMBL2623134 0.72 KCNQ3 (0.51) NPC1RAB9AKMT2APOLBBRD4

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 MAPT 4312/4885KDM4E 1444/4885SMN1; SMN2 2433/4885

“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.