SCHEMBL3236121

SCHEMBL3236121

CC(C)(C)N(C(=O)COc1ccccc1)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GDA Q9Y2T3 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
PNP P00491 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MLYCD O95822 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6937522 0.83 KDM4E (0.41) PDE5AKDM4EMEN1KMT2AGDA
SCHEMBL3222570 0.81 USP2 (0.44) PDE5AKDM4EMEN1KMT2AGDA
SCHEMBL1970070 0.73 GDA (0.58) GDASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5798037 0.72 GRIA1 (0.45) PDE5AGDAPNP
SCHEMBL28079861 0.71 GDA (0.49) PDE5AGDAPNP
SCHEMBL27718742 0.69 PDE9A (0.51) PDE5APNP
SCHEMBL8591405 0.69 GDA (0.52) GDAALDH1A1PNP
SCHEMBL1286929 0.69 PNP (0.50) PDE5AGDAALDH1A1PNP
SCHEMBL3433603 0.69 TSHR (0.52) PDE5AKMT2ASMN1; SMN2PNPNPC1
SCHEMBL29131184 0.69 PNP (0.43) PDE5AGDAALDH1A1PNP

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-2862868-B1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO CO LTD (JP) 2020-04-08 EP disclosed
US-9738681-B2 Intermediate for production of nucleoside analog and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-22 US disclosed
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-10 US disclosed
US-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862868-A1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 EP disclosed
WO-2010021897-A1 NUCLEOSIDIC PHOSPHORAMIDITE CRYSTALLINE MATERIAL AND A PROCESS FOR PURIFYING THE SAME MERCK SHARP & DOHME CORP. (US) 2010-02-25 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 (2 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-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT PDE5A 2416/4885KDM4E 2276/4885MEN1 2434/4885
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT PDE5A 2416/4885KDM4E 2276/4885MEN1 2434/4885

“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.