SCHEMBL20833472

SCHEMBL20833472

COCCO[C@@H]1[C@H](N)[C@@H](COC(=O)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ HINT1 P49773 4/20 0.42
▸ IMPDH2 P12268 2/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GSK3A P49840 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ KRAS P01116 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ NT5E P21589 1/20 0.38

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
SCHEMBL25966203 0.92 KDM4E (0.57) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL22335565 0.88 KDM4E (0.45) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL24052001 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL25775085 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL25764957 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL25764906 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL26554435 0.85 KDM4E (0.51) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL7068744 0.84 KDM4E (0.57) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL19399420 0.84 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1IMPDH2
SCHEMBL7068737 0.84 KDM4E (0.57) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180524-B2 Modified nucleoside phosphoramidites Janssen Biopharma, Inc. (US) 2021-11-23 — — US disclosed
US-20200255468-A1 MODIFIED NUCLEOSIDE PHOSPHORAMIDITES Janssen Pharmaceuticals, Inc. 2020-08-13 — — US disclosed
WO-2019053659-A1 MODIFIED NUCLEOSIDE PHOSPHORAMIDITES ALIOS BIOPHARMA, INC. (US) 2019-03-21 — — 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-20200255468-A1 MODIFIED NUCLEOSIDE PHOSPHORAMIDITES PNP, MTAP, NT5C3B KDM4E 2810/4885TAS1R3 3008/4885TAS1R1 2848/4885
US-11180524-B2 Modified nucleoside phosphoramidites PNP, MTAP, NT5C3B KDM4E 2810/4885TAS1R3 3008/4885TAS1R1 2848/4885

“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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