SCHEMBL9940463

SCHEMBL9940463

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CSCCCN)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.69
PI4K2B Q8TCG2 1/20 0.69
PI4K2A Q9BTU6 1/20 0.69
PI4KB Q9UBF8 1/20 0.69
DOT1L Q8TEK3 6/20 0.68
DNMT3B Q9UBC3 2/20 0.68
PRMT7 Q9NVM4 2/20 0.68
AMD1 P17707 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
PNMT P11086 1/20 0.60
DNMT1 P26358 1/20 0.60
P2RX1 P51575 1/20 0.56
P2RX3 P56373 1/20 0.56
P2RX4 Q99571 1/20 0.56
PRMT5 O14744 1/20 0.51
CARM1 Q86X55 1/20 0.49
EHMT2 Q96KQ7 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
SCHEMBL9940467 1.00 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9970197 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9940489 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9940497 0.88 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL4868400 0.87 PI4KA (0.76) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL14344749 0.86 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9941044 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9941051 0.85 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL16128949 0.85 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL460252 0.85 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBDOT1L

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 11 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-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-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
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
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 PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT PI4KA 1844/4885PI4K2B 1901/4885PI4K2A 1942/4885

“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.