SCHEMBL16619414

SCHEMBL16619414

O=C(Nc1ncnc2[nH]cnc12)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
KDM4E B2RXH2 2/20 0.48
NT5C2 P49902 2/20 0.47
NT5E P21589 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BRD4 O60885 3/20 0.47
DEGS1 O15121 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL23123 0.84 BRD4 (0.64) NPC1RAB9ANT5C2NT5EBRD4
SCHEMBL8381773 0.83 BRD4 (0.63) NPC1RAB9ANT5C2NT5EBRD4
SCHEMBL16619108 0.82 NT5C2 (0.69) NT5C2NT5EBRD4SIRT2
SCHEMBL16618808 0.82 NT5C2 (0.67) NPC1RAB9ANT5C2NT5EMEN1
SCHEMBL6463473 0.81 BRD4 (0.60) NPC1RAB9ANT5C2NT5EBRD4
SCHEMBL2623134 0.80 KCNQ3 (0.51) NPC1RAB9ANT5C2NT5EMEN1
SCHEMBL2623133 0.79 BRD4 (0.49) NPC1RAB9AKDM4ENT5C2MEN1
SCHEMBL9230078 0.79 BRD4 (0.68) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL16619169 0.78 MAPT (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL14192926 0.77 CSF1R (0.51) NPC1RAB9ANT5C2NT5EBRD4

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 NPC1 2462/4885RAB9A 3054/4885KDM4E 1444/4885

“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.