SCHEMBL6915061

SCHEMBL6915061

CCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 19/20 0.86
ADORA3 P0DMS8 2/20 0.86
KDM4E B2RXH2 1/20 0.86
MEN1 O00255 1/20 0.86
PDE2A O00408 1/20 0.86
RGS12 O14924 1/20 0.86
SLC22A2 O15244 1/20 0.86
SLC22A1 O15245 1/20 0.86
ABCC4 O15439 1/20 0.86
ABCC5 O15440 1/20 0.86
PDE6D O43924 1/20 0.86
PDE8A O60658 1/20 0.86
GMNN O75496 1/20 0.86
USP2 O75604 1/20 0.86
PDE5A O76074 1/20 0.86
ABCB11 O95342 1/20 0.86
ALDH1A1 P00352 1/20 0.86
LMNA P02545 1/20 0.86
HSP90AA1 P07900 1/20 0.86
CHRM2 P08172 1/20 0.86

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
SCHEMBL17017272 1.00 SLC29A1 (0.86) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL611283 0.94 SLC29A1 (0.91) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL17044166 0.93 SLC29A1 (0.94) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL30416820 0.93 SLC29A1 (1.00) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL16119 0.93 SLC29A1 (1.00) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL3980595 0.93 SLC29A1 (1.00) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL29381078 0.93 SLC29A1 (1.00) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL7362290 0.91 SLC29A1 (0.97) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL9743915 0.91 SLC29A1 (0.97) SLC29A1ADORA3KDM4EMEN1PDE2A
Dipyridamole SCHEMBL29002462 0.91 SLC29A1 (0.97) SLC29A1ADORA3KDM4EMEN1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015090-A1 COMPOUNDS FOR ENHANCING PPARy EXPRESSION AND NUCLEAR TRANSLOCATION AND THERAPEUTIC USE THEREOF REALINN LIFE SCIENCE LIMITED (TW) 2018-01-18 US disclosed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20090239884-A1 Methods of Treating Inflammation THE UNIVERSITY OF CONNECTICUT 2009-09-24 US disclosed
US-20090105281-A1 Methods of treating inflammation UNIVERSITY OF CONNECTICUT, THE 2009-04-23 US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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 (6 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-20180015090-A1 COMPOUNDS FOR ENHANCING PPARy EXPRESSION AND NUCLEAR TRANSLOCATION AND THERAPEUTIC USE THEREOF PPARA, PPARD, PPARG SLC29A1 275/4885ADORA3 272/4885KDM4E 1548/4885
US-20090239884-A1 Methods of Treating Inflammation TNF, IL6, IL4 SLC29A1 4556/4885ADORA3 1575/4885KDM4E 2700/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA SLC29A1 3229/4885ADORA3 4286/4885KDM4E 3682/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF SLC29A1 3650/4885ADORA3 2436/4885KDM4E 2360/4885
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 SLC29A1 1485/4885ADORA3 2556/4885KDM4E 3830/4885
US-20090105281-A1 Methods of treating inflammation TNF, IL6, IL4 SLC29A1 4556/4885ADORA3 1575/4885KDM4E 2700/4885

“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.