SCHEMBL17833354

SCHEMBL17833354

CNc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CSCC[C@H](N)C(=O)O)O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 0.75
PRMT1 Q99873 2/20 0.75
DNMT3B Q9UBC3 6/20 0.59
DNMT1 P26358 5/20 0.58
CARM1 Q86X55 2/20 0.57
EHMT2 Q96KQ7 2/20 0.57
TRDMT1 O14717 1/20 0.57
PRMT5 O14744 1/20 0.57
SUV39H1 O43463 1/20 0.57
PRMT3 O60678 1/20 0.57
INMT O95050 1/20 0.57
NSD2 O96028 1/20 0.57
PNMT P11086 1/20 0.57
NNMT P40261 1/20 0.57
HNMT P50135 1/20 0.57
WDR5 P61964 1/20 0.57
KMT2A Q03164 1/20 0.57
SETDB1 Q15047 1/20 0.57
RBBP5 Q15291 1/20 0.57
EZH2 Q15910 1/20 0.57

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
SCHEMBL27092984 0.88 DOT1L (0.73) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL20097045 0.88 DOT1L (0.73) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL9058595 0.85 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174642 0.85 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14191440 0.85 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL28912656 0.79 ADORA3 (0.69) ADORA3
SCHEMBL23982373 0.78 HIF1A (0.71) ADORA3
SCHEMBL6267085 0.78 HIF1A (0.71) ADORA3
SCHEMBL21011280 0.78 HIF1A (0.71) ADORA3
SCHEMBL17920432 0.78 ADORA3 (0.67) ADORA3

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-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2016-06-16 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-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT DOT1L, CARM1, NSD1 DOT1L 1/4885PRMT1 4/4885DNMT3B 58/4885

“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.