SCHEMBL954367

SCHEMBL954367

CN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.68
PI4K2B Q8TCG2 1/20 0.68
PI4K2A Q9BTU6 1/20 0.68
PI4KB Q9UBF8 1/20 0.68
RXFP1 Q9HBX9 1/20 0.60
P2RX1 P51575 1/20 0.55
P2RX3 P56373 1/20 0.55
P2RX4 Q99571 1/20 0.55
AMD1 P17707 5/20 0.54
EZH2 Q15910 1/20 0.51
PRMT1 Q99873 8/20 0.50
CARM1 Q86X55 3/20 0.50
DOT1L Q8TEK3 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
Water SCHEMBL10663829 0.99 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970637 0.97 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395675 0.97 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17153318 0.94 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970159 0.94 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395676 0.93 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395668 0.92 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395646 0.92 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970659 0.90 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954215 0.90 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US claimed
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-8637485-B2 5′,-substituted adenosynes preparation thereof and use as inhibitors of S-adenosylmethionine decarboxylase SOUTHERN RESEARCH INSTITUTE (US) 2014-01-28 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-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
US-4794174-A ENZYME INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 1988-12-27 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 (3 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
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP PI4KA 2084/4885PI4K2B 2914/4885PI4K2A 3027/4885

“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.