SCHEMBL452417

SCHEMBL452417

Nc1ncc2ncn(CC(=O)O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
ADRA1A P35348 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TEK Q02763 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
ADORA2B P29275 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL30052297 1.00 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL28184787 0.81 FGFR1 (0.45) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL8839496 0.79 HDAC6 (0.50) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL8840058 0.78 KDM4E (0.51) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL3151968 0.78 KDM4E (0.55) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL14642669 0.77 CDK1 (0.56) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL8840050 0.77 HSD17B10 (0.55) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL28431107 0.76 KDM4E (0.60) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL469371 0.76 HDAC6 (0.49) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL4551666 0.76 HDAC6 (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
CN-115427044-A Pyrrolopyrimidines as complement inhibitors 拜奥克里斯特制药公司 2022-12-02 CN disclosed
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 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 (3 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-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 HDAC6 2413/4885KDM4E 4577/4885ALDH1A1 4860/4885
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP HDAC6 2412/4885KDM4E 3581/4885ALDH1A1 1325/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 HDAC6 2413/4885KDM4E 4577/4885ALDH1A1 4860/4885

“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.