SCHEMBL16705100

SCHEMBL16705100

CCN(CCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 17/20 0.67
DNMT1 P26358 1/20 0.61
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL9970707 1.00 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9940827 0.96 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970730 0.96 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15829365 0.93 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15598780 0.93 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL18659716 0.93 DOT1L (0.63) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL16129574 0.92 DOT1L (0.78) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15598648 0.92 DOT1L (0.78) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15389762 0.92 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15395708 0.92 DOT1L (0.66) DOT1LDNMT1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885PI4KA 1844/4885

“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.