SCHEMBL20462535

SCHEMBL20462535

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CN(C)C[C@@H](CO[P@](=O)(Cl)N(C)C)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ IMPDH2 P12268 5/20 0.38
▸ POLB P06746 1/20 0.37
▸ IMPDH1 P20839 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KRAS P01116 3/20 0.34
▸ POLA1 P09884 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL20462522 1.00 KDM4E (0.50) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL20462507 1.00 KDM4E (0.50) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL20462537 1.00 KDM4E (0.50) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL20462521 1.00 KDM4E (0.50) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL24513564 0.90 KDM4E (0.52) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL24517731 0.87 KDM4E (0.45) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL30177246 0.87 KDM4E (0.45) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL24513584 0.82 KDM4E (0.41) KDM4ETAS1R3TAS1R1IMPDH2POLB
SCHEMBL20462534 0.82 KDM4E (0.42) KDM4ETAS1R3TAS1R1POLBALDH1A1
SCHEMBL20462536 0.82 KDM4E (0.42) KDM4ETAS1R3TAS1R1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222932-A1 CHIRAL REAGENTS FOR PREPARATION OF HOMOGENEOUS OLIGOMERS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-08-09 — — 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 (1 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-20180222932-A1 CHIRAL REAGENTS FOR PREPARATION OF HOMOGENEOUS OLIGOMERS RNGTT, MPHOSPH6, PMM2 KDM4E 4529/4885TAS1R3 4503/4885TAS1R1 4429/4885

“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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