SCHEMBL10459533

SCHEMBL10459533

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(O)[C@@H]2OC(=S)N2CCS(=O)(=O)CC2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PAX8 Q06710 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ POLA1 P09884 1/20 0.37

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
SCHEMBL10462552 1.00 KDM4E (0.51) KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL19880311 0.90 HPGD (0.44) KDM4ETAS1R3TAS1R1HPGDMEN1
SCHEMBL10462010 0.86 ADORA1 (0.51) MEN1KMT2AADORA1ADORA2AADORA2B
SCHEMBL10457914 0.86 ADORA1 (0.51) MEN1KMT2AADORA1ADORA2AADORA2B
SCHEMBL6049723 0.85 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL10459534 0.84 TYMP (0.51) KDM4ETAS1R3TAS1R1ADORA1
SCHEMBL10460984 0.84 TYMP (0.51) KDM4ETAS1R3TAS1R1ADORA1
SCHEMBL1582583 0.84 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL1582579 0.84 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDALDH1A1
SCHEMBL3315671 0.84 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2018-07-05 — — US disclosed
US-9896472-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2018-02-20 — — US disclosed
US-9273086-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-9273086-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis AGILENT TECHNOLOGIES, INC. 2016-01-07 — — US disclosed
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis AGILENT TECHNOLOGIES, INC. 2016-01-07 — — US disclosed
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-11-15 — — US disclosed
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-07-19 — — 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-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT KDM4E 1268/4885TAS1R3 4231/4885TAS1R1 4165/4885
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, RNGTT, RNMT KDM4E 2664/4885TAS1R3 4261/4885TAS1R1 4266/4885
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis NSUN2, SNRPB2, RNGTT KDM4E 1268/4885TAS1R3 4231/4885TAS1R1 4165/4885
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 KDM4E 3200/4885TAS1R3 3654/4885TAS1R1 3731/4885

“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.

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