SCHEMBL1934658

SCHEMBL1934658

C=COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.72
ADORA1 P30542 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADORA2A P29274 2/20 0.70
ADORA2B P29275 2/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70
PI4K2B Q8TCG2 1/20 0.70
DOT1L Q8TEK3 1/20 0.70
SLC29A1 Q99808 1/20 0.70
PI4K2A Q9BTU6 1/20 0.70

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
SCHEMBL4870935 0.89 P2RY1 (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL8582406 0.89 P2RY1 (0.72) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL29936504 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15926827 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL41361 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL384075 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15338502 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15338536 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL15788449 0.88 ADORA1 (0.74) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL4944751 0.87 AHCY (0.69) AHCYADORA1SMN1; SMN2ADORA3ADORA2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1540013-B1 EVOLVING NEW MOLECULAR FUNCTION HARVARD COLLEGE (US) 2015-07-08 EP disclosed
EP-1423400-B2 EVOLVING NEW MOLECULAR FUNCTION HARVARD COLLEGE (US) 2013-05-22 EP disclosed
US-20120165228-A1 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-28 US disclosed
US-8206914-B2 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-26 US disclosed
US-7998904-B2 Libraries of oligonucleotides created by genetic engineering PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-08-16 US disclosed
US-20110190141-A1 Evolving New Molecular Function PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) 2011-08-04 US disclosed
EP-2332896-A2 Evolving new molecular function President and Fellows of Harvard College (US) 2011-06-15 EP disclosed
US-7771935-B2 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-08-10 US disclosed
US-7557068-B2 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-07 US disclosed
US-7491494-B2 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-20050142583-A1 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-06-30 US disclosed
EP-1540013-A2 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-06-15 EP disclosed
US-20050042669-A1 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-02-24 US disclosed
US-20050025766-A1 Evolving new molecular function LIU DAVID R (US) 2005-02-03 US disclosed
EP-1423400-A4 EVOLVING NEW MOLECULAR FUNCTION HARVARD COLLEGE (US) 2004-12-01 EP disclosed
US-20040180412-A1 Evolving new molecular function THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-09-16 US disclosed
EP-1423400-A2 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-02 EP disclosed
WO-2004016767-A2 EVOLVING NEW MOLECULAR FUNCTION THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-02-26 WO disclosed
US-20030113738-A1 Evolving new molecular function PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-06-19 US disclosed
WO-2002074929-A2 EVOLVING NEW MOLECULAR FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-09-26 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-20050025766-A1 Evolving new molecular function POLI, PCNA, POLK AHCY 2476/4885ADORA1 2501/4885SMN1; SMN2 3993/4885
US-20120165228-A1 EVOLVING NEW MOLECULAR FUNCTION POLI, PCNA, POLK AHCY 2476/4885ADORA1 2501/4885SMN1; SMN2 3993/4885

“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.