SCHEMBL952452

SCHEMBL952452

Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 9/20 0.76
HSPA5 P11021 2/20 0.64
HSPA8 P11142 2/20 0.64
RXFP1 Q9HBX9 1/20 0.61
NADK O95544 2/20 0.59
HSD17B10 Q99714 1/20 0.59
GAPDH P04406 1/20 0.59

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
SCHEMBL952454 1.00 AMD1 (0.76) AMD1HSPA5HSPA8RXFP1NADK
SCHEMBL15906323 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL15906300 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL967122 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL1135195 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL18858928 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL967124 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL16378774 0.89 AMD1 (0.77) AMD1HSPA5HSPA8RXFP1NADK
SCHEMBL16805420 0.89 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL12946772 0.88 HSPA8 (0.64) AMD1HSPA5HSPA8RXFP1NADK

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-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
EP-2170057-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE Southern Research Institute (US) 2010-04-07 EP claimed
WO-2009018541-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE SOUTHERN RESEARCH INSTITUTE (US) 2009-02-05 WO claimed
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-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 US disclosed
US-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 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
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-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION 2010-10-14 US disclosed
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION 2010-10-14 US disclosed
WO-2008157438-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION (US) 2008-12-24 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-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP AMD1 1/4885HSPA5 4806/4885HSPA8 2018/4885
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE AMD1, MAT1A, AHCY AMD1 1/4885HSPA5 4426/4885HSPA8 2972/4885

“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.