SCHEMBL952843

SCHEMBL952843

Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN2C(=O)c3ccccc3C2=O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 14/20 0.51
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HSD17B10 Q99714 1/20 0.36
GAPDH P04406 1/20 0.36

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
SCHEMBL953040 0.92 AMD1 (0.51) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940482 0.87 PI4KA (0.57) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970432 0.85 PI4KA (0.56) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL952529 0.85 AMD1 (0.66) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940434 0.79 PI4KA (0.56) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940605 0.78 PI4KA (0.57) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9937285 0.78 RXFP1 (0.55) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940650 0.77 PI4KA (0.53) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL955223 0.76 AMD1 (0.56) AMD1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940517 0.76 RXFP1 (0.54) AMD1PI4KAPI4K2BPI4K2API4KB

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 4 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-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.