SCHEMBL112551

SCHEMBL112551

Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.57
ADORA2A P29274 4/20 0.57
ADORA2B P29275 3/20 0.57
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
ADORA1 P30542 2/20 0.57
DPP4 P27487 1/20 0.57
MEN1 O00255 1/20 0.57
SLC28A1 O00337 1/20 0.57
MAP3K7 O43318 1/20 0.57
SLC28A2 O43868 1/20 0.57
GAPDH P04406 1/20 0.57
MAPK1 P28482 1/20 0.57
STAT6 P42226 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
DOT1L Q8TEK3 1/20 0.57
SLC29A1 Q99808 1/20 0.57

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
SCHEMBL1980312 1.00 ADORA3 (0.57) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL7153500 1.00 ADORA3 (0.57) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL1178687 0.87 ADORA3 (0.57) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL1140703 0.85 EGFR (0.41) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL2045673 0.85 EGFR (0.41) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL13238881 0.85 EGFR (0.41) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL13238880 0.84 POLB (0.43) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL2950100 0.84 EGFR (0.40) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL2950104 0.84 EGFR (0.40) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL14429090 0.82 ADORA3 (0.67) ADORA3ADORA2AADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 US claimed
EP-2308885-B1 Novel compounds and methods for therapy GILEAD SCIENCES INC (US) 2014-11-19 EP claimed
EP-2245037-B1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES INC (US) 2014-06-18 EP claimed
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
EP-2308885-A2 Novel compounds and methods for therapy Gilead Sciences, Inc. (US) 2011-04-13 EP claimed
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 US 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-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US claimed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US claimed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 US claimed
US-20070264241-A1 Compounds for Enhanced Cancer Therapy ZGENE A/S (DK) 2007-11-15 US claimed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US claimed
US-6599887-B2 Aids, herpes virus CHIMERIX, INC. 2003-07-29 US claimed
US-6448392-B1 LIPID, ESPECIALLY PHOSPHOLIPID, DERIVATIVES OF MODIFIED ANTIVIRAL NUCLEOSIDE ANALOGUES CAN BE INTEGRATED INTO STRUCTURE OF LIPOSOMES, FORMING STABLE LIPOSOMAL COMPLEX, DELIVER GREATER AMOUNTS OF DRUGS TO CELLS WITH LESS TOXICITY CHIMERIX, INC. 2002-09-10 US claimed
US-20260022413-A1 ENGINEERING DYNAMIC DNA NANO-DEVICES TO AMPLIFY SIGNAL PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-01-22 US disclosed
EP-0311107-A2 Anti-HIV active 3'-fluoro-purine-2',3'-dideoxyribosides Stichting REGA V.Z.W. (BE) 1989-04-12 EP 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 (9 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-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ADORA3 95/4885ADORA2A 103/4885ADORA2B 230/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ADORA3 205/4885ADORA2A 295/4885ADORA2B 342/4885
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK ADORA3 407/4885ADORA2A 1021/4885ADORA2B 979/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC ADORA3 235/4885ADORA2A 651/4885ADORA2B 970/4885
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION CYP11B1, CYP51A1, CYP11B2 ADORA3 2026/4885ADORA2A 2898/4885ADORA2B 2776/4885
US-20070264241-A1 Compounds for Enhanced Cancer Therapy TYMP, BAD, NUDT1 ADORA3 130/4885ADORA2A 60/4885ADORA2B 306/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ADORA3 95/4885ADORA2A 103/4885ADORA2B 230/4885
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX ADORA3 3292/4885ADORA2A 2064/4885ADORA2B 3054/4885
US-20260022413-A1 ENGINEERING DYNAMIC DNA NANO-DEVICES TO AMPLIFY SIGNAL PCNA, TNNT2, DNMT3A ADORA3 1315/4885ADORA2A 2367/4885ADORA2B 3541/4885

“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.