SCHEMBL2036206

SCHEMBL2036206

CCCCCCCCNCC(O)CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.54
▸ TNF P01375 4/20 0.54
▸ PDE4A P27815 4/20 0.54
▸ PDE4B Q07343 3/20 0.54
▸ PDE4C Q08493 3/20 0.54
▸ PDE4D Q08499 3/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ PMP22 Q01453 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ ACHE P22303 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ADORA2A P29274 2/20 0.51
▸ BLM P54132 2/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CHIT1 Q13231 1/20 0.47

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
SCHEMBL8006003 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8697911 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL7604975 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8695168 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8003766 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8006575 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8696212 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8375960 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8375264 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C
SCHEMBL8005651 1.00 ADORA2B (0.54) ADORA2BTNFPDE4APDE4BPDE4C

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
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 — — WO claimed
US-5985926-A VIRICIDES OF AMINE COMPOUNDS AND HYDROCARBONS CELL THERAPEUTICS, INC. (US) 1999-11-16 — — US claimed
EP-0676958-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-10-18 — — EP claimed
WO-1995012396-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-05-11 — — WO 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
CN-104254526-A New anti-mycobacterial drugs against tuberculosis UNIV GEORGIA 2014-12-31 — — CN disclosed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 — — EP disclosed
US-6043250-A Methods for using therapeutic compounds containing xanthinyl CELL THERAPEUTICS, INC. (US) 2000-03-28 — — US disclosed
US-5929081-A ADMINISTERING COMPOUND THAT INHIBITS SIGNAL TRANSDUCTION THROUGH CELLULAR ACCUMULATION OF NON-ARACHIDONYL PHOSPHATIDIC ACID CELL THERAPEUTICS INC. (US) 1999-07-27 — — US disclosed
US-5859018-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; CARDIOVASCULAR DISORDERS CELL THERAPEUTICS, INC. (US) 1999-01-12 — — US disclosed
US-5807862-A Therapeutic compounds containing pyrimidinyl moieties CELL THERAPEUTICS, INC. (US) 1998-09-15 — — US disclosed
US-5795898-A ANTITUMOR, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS CELL THERAPEUTICS, INC. (US) 1998-08-18 — — 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 (3 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-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK ADORA2B 979/4885TNF 2110/4885PDE4A 1608/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC ADORA2B 970/4885TNF 4119/4885PDE4A 1032/4885
US-20150050237-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS FNTB, ABCC1, TBCD ADORA2B 4471/4885TNF 1594/4885PDE4A 2713/4885

“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.

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