SCHEMBL10104855

SCHEMBL10104855

Cn1cnc2c1C(=O)NNC(=O)N2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.32
SRC P12931 1/20 0.31
CYP3A4 P08684 2/20 0.31
PMP22 Q01453 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20998649 0.79
SCHEMBL12724346 0.78 MAPK13 (0.33) ALDH1A1LMNA
SCHEMBL13177050 0.75 GDA (0.32) GDASRCCYP3A4PMP22ALDH1A1
SCHEMBL21030280 0.69 GDA (0.33) GDASRCCYP3A4PMP22ALDH1A1
SCHEMBL20998703 0.64
SCHEMBL23731210 0.62 GDA (0.30) GDASRC
SCHEMBL19090582 0.60
SCHEMBL20011291 0.60 GDA (0.31) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL6860784 0.60 GDA (0.31) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL24079417 0.59 GDA (0.30) GDA

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-2265626-B1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE LCB PHARMA INC (CA) 2019-05-15 EP disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 US disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 US disclosed
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-8163707-B2 4′-allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-03-25 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 (4 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-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 GDA 198/4885SRC 2002/4885CYP3A4 2772/4885
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES NME2, HAVCR2, ENTPD5 GDA 161/4885SRC 4037/4885CYP3A4 1205/4885
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 GDA 554/4885SRC 1729/4885CYP3A4 403/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 GDA 198/4885SRC 2002/4885CYP3A4 2772/4885

“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.