SCHEMBL13410451

SCHEMBL13410451

CN(N)c1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ P2RX3 P56373 2/20 0.44
▸ P2RX4 Q99571 2/20 0.44
▸ P2RX2 Q9UBL9 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ GAPDH P04406 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HRAS P01112 1/20 0.43
▸ DOT1L Q8TEK3 2/20 0.38
▸ RNMT O43148 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ PRMT3 O60678 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ ADK P55263 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
SCHEMBL13410394 0.89 MEN1 (0.46) MEN1USP2POLBKMT2AP2RX3
SCHEMBL7110607 0.88 P2RX3 (0.53) MEN1USP2POLBKMT2AP2RX3
SCHEMBL18438874 0.81 HRAS (0.48) MEN1USP2POLBKMT2AP2RX3
SCHEMBL18438843 0.81 HRAS (0.48) MEN1USP2POLBKMT2AP2RX3
SCHEMBL18874622 0.81 HRAS (0.48) MEN1USP2POLBKMT2AP2RX3
SCHEMBL19322725 0.80 HRAS (0.52) MEN1USP2POLBKMT2AP2RX3
SCHEMBL18483492 0.80 HRAS (0.52) MEN1USP2POLBKMT2AP2RX3
SCHEMBL20938335 0.79 P2RX3 (0.55) MEN1USP2POLBKMT2AP2RX3
SCHEMBL1738482 0.78 ADK (0.49) P2RX3P2RX4P2RX2LMNADOT1L
SCHEMBL6735241 0.78 ADK (0.49) P2RX3P2RX4P2RX2LMNADOT1L

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-20100093609-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TSRL, INC. 2010-04-15 — — 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-20100093609-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TYMP, SLC1A5, TYMS MEN1 4476/4885USP2 4242/4885POLB 263/4885

“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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