SCHEMBL9937703

SCHEMBL9937703

CC(C)N(CCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 20/20 0.62
DNMT1 P26358 2/20 0.61
PRMT5 O14744 1/20 0.49
PRMT7 Q9NVM4 1/20 0.49

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
SCHEMBL15395742 1.00 DOT1L (0.62) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9970630 1.00 DOT1L (0.62) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9970643 0.92 DOT1L (0.60) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9970225 0.90 DOT1L (0.77) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9937609 0.90 DOT1L (0.77) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9937606 0.90 DOT1L (0.77) DOT1LDNMT1PRMT5PRMT7
SCHEMBL15389641 0.89 DOT1L (0.63) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9970219 0.88 DOT1L (0.80) DOT1LDNMT1PRMT5PRMT7
SCHEMBL15395442 0.86 DOT1L (0.62) DOT1LDNMT1PRMT5PRMT7
SCHEMBL9940998 0.86 DOT1L (0.62) DOT1LDNMT1PRMT5PRMT7

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 7 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-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
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO 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 (2 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 11/4885PRMT5 36/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT DOT1L 4/4885DNMT1 11/4885PRMT5 36/4885

“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.