SCHEMBL2045673

SCHEMBL2045673

OC[C@H]1C=C[C@@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
ADORA2A P29274 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC29A1 Q99808 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
SLC28A1 O00337 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
STAT6 P42226 1/20 0.41

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
SCHEMBL13238881 1.00 EGFR (0.41) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL1140703 1.00 EGFR (0.41) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2950104 0.99 EGFR (0.40) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2950100 0.99 EGFR (0.40) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL1980312 0.85 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL112551 0.85 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL7153500 0.85 ADORA3 (0.57) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL13238880 0.85 POLB (0.43) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL15759284 0.83 LMNA (0.38) EGFRERBB2ADORA3PI4KAPI4K2B
SCHEMBL2955999 0.81 BCHE (0.42) ADORA3ADORA2BALDH1A1LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP claimed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US claimed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO claimed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US claimed
US-20070264241-A1 Compounds for Enhanced Cancer Therapy ZGENE A/S (DK) 2007-11-15 US claimed
US-9650360-B2 Anti-mycobacterial drugs against tuberculosis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-05-16 US disclosed
EP-2831056-B1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS THE UNIV OF GEORGIA RES FOUND INC (US) 2016-12-14 EP disclosed
US-20150050237-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
EP-2831056-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS The University Of Georgia Research Foundation, Inc (US) 2015-02-04 EP disclosed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP disclosed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
US-7666639-B2 Pharmaceutical compositions comprising plant deoxyribonucleoside kinase enzymes (dNK) capable of phosphorylating nucleoside analogs and to medical use of said dNKs derived from (Arabidopsis thaliana), loblolly pine (Pinus taeda), tomato (Lycopersicum esculentum), maize (Zea mays) or rice (Oryza sativa) KNECHT WOLFGANG 2010-02-23 US disclosed
EP-1974026-A2 MUTANT DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGene A/S (DK) 2008-10-01 EP disclosed
US-20070248543-A1 Chicken Deoxycytidine and Deoxyadenosine Kinase Enzymes and Their Use ZGENE A/S (DK) 2007-10-25 US disclosed
US-20070202120-A1 Yellow Fever Mosquito Deoxyribonucleoside Kinases And Its Use ZGENE A/S (DK) 2007-08-30 US disclosed
WO-2007079753-A2 MUTANT DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGENE A/S (DK) 2007-07-19 WO disclosed
US-20060230467-A1 Plant deoxyribonucleoside kinase enzymes and their use KNECHT WOLFGANG 2006-10-12 US disclosed
WO-2005079849-A2 COMPOUNDS FOR ENHANCED CANCER THERAPY ZGENE A/S (DK) 2005-09-01 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 (5 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-20060230467-A1 Plant deoxyribonucleoside kinase enzymes and their use PNKP, DTYMK, NADK EGFR 3635/4885ERBB2 2459/4885ADORA3 1168/4885
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK EGFR 3878/4885ERBB2 2901/4885ADORA3 407/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC EGFR 4439/4885ERBB2 3473/4885ADORA3 235/4885
US-20070264241-A1 Compounds for Enhanced Cancer Therapy TYMP, BAD, NUDT1 EGFR 670/4885ERBB2 927/4885ADORA3 130/4885
US-20150050237-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS FNTB, ABCC1, TBCD EGFR 3011/4885ERBB2 3885/4885ADORA3 3915/4885

“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.