SCHEMBL952529

SCHEMBL952529

Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 15/20 0.66
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.42
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL955223 0.90 AMD1 (0.56) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL952843 0.85 AMD1 (0.51) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL954367 0.84 PI4KA (0.68) AMD1PI4KAPI4K2BPI4K2API4KB
Water SCHEMBL10663829 0.84 PI4KA (0.67) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970637 0.82 PI4KA (0.67) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15395675 0.82 PI4KA (0.67) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16882799 0.80 ADK (0.48) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17122749 0.80 ADK (0.48) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15450351 0.80 PI4KA (0.53) AMD1PI4KAPI4K2BPI4K2API4KB
Sulfuric Acid SCHEMBL956813 0.79 AMD1 (1.00) AMD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP claimed
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-8637485-B2 5′,-substituted adenosynes preparation thereof and use as inhibitors of S-adenosylmethionine decarboxylase SOUTHERN RESEARCH INSTITUTE (US) 2014-01-28 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

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-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP AMD1 1/4885PI4KA 2084/4885PI4K2B 2914/4885

“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.