SCHEMBL23776502

SCHEMBL23776502

COc1ccc(CNc2ncnc3c2ccn3[C@@H]2C[C@H](CN(CC3CCC3)C3CC(CCC(=O)Nc4cc(C(C)(C)C)ccc4N)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 2/20 0.34
▸ CCRL2 O00421 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ USP2 O75604 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL23776670 1.00 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9913635 1.00 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9110042 1.00 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9110036 1.00 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL23776675 1.00 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9110062 0.96 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9110082 0.96 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9109830 0.94 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2
SCHEMBL9106660 0.91 DOT1L (0.35) DOT1LCCRL2USP2ALDH1A1LMNA
SCHEMBL9109937 0.91 DOT1L (0.34) DOT1LCCRL2NPC1RAB9AUSP2

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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — 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 (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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 DOT1L 6/4885CCRL2 3436/4885NPC1 1157/4885

“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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