SCHEMBL1936244

SCHEMBL1936244

Nc1ncnc2c1N(I)CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.50
DOT1L Q8TEK3 3/20 0.50
MAPK1 P28482 3/20 0.50
HIF1A Q16665 2/20 0.50
STAT6 P42226 2/20 0.50
CDK5 Q00535 2/20 0.50
DPP4 P27487 1/20 0.50
DCLK1 O15075 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
CDK1 P06493 1/20 0.50
ROS1 P08922 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
FLT3 P36888 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50
IRAK1 P51617 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL1936249 1.00 ADK (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL15973691 0.86 ADK (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL27767961 0.86 DOT1L (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL3841527 0.86 DOT1L (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL830796 0.86 MAPK1 (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL724943 0.86 MAPK1 (0.50) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL1666083 0.86 HSPA5 (0.52) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL830795 0.86 MAPK1 (0.50) ADKDOT1LMAPK1HIF1ASTAT6
Ammonia Solution, Strong SCHEMBL28844518 0.85 HSPA5 (0.51) ADKDOT1LMAPK1HIF1ASTAT6
SCHEMBL1665379 0.85 HSPA5 (0.51) ADKDOT1LMAPK1HIF1ASTAT6

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 ADK 769/4885DOT1L 4185/4885MAPK1 3736/4885
US-20120165228-A1 EVOLVING NEW MOLECULAR FUNCTION POLI, PCNA, POLK ADK 769/4885DOT1L 4185/4885MAPK1 3736/4885

“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.