SCHEMBL44805

SCHEMBL44805

C#CCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
GLA P06280 1/20 1.00
BLM P54132 1/20 1.00
ADORA3 P0DMS8 2/20 0.59
ACHE P22303 2/20 0.59
PIK3CD O00329 1/20 0.59
POLB P06746 1/20 0.59
CNR1 P21554 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
NTSR1 P30989 1/20 0.59
MC3R P41968 1/20 0.59
NOTUM Q6P988 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
GDA Q9Y2T3 1/20 0.59
NR2E1 Q9Y466 1/20 0.59
USP2 O75604 1/20 0.56
TNF P01375 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL316760 0.88 ADORA2B (1.00) ADORA2BGLABLMADORA3ACHE
SCHEMBL22342560 0.87 ADORA2B (0.77) ADORA2BGLABLMADORA3ACHE
SCHEMBL17737315 0.85 ADORA2B (1.00) ADORA2BGLABLMADORA3ACHE
SCHEMBL18255999 0.85 ADORA2B (0.73) ADORA2BGLABLMADORA3ACHE
SCHEMBL11305914 0.83 ADORA2B (0.71) ADORA2BGLABLMACHEADORA2A
SCHEMBL10018599 0.83 ADORA2B (0.72) ADORA2BGLABLMADORA3ACHE
Bisdionin C SCHEMBL10018600 0.81 CHIT1 (0.75) ADORA2BGLABLMADORA3ACHE
SCHEMBL516446 0.81 ADORA2A (0.74) ADORA2BGLABLMADORA3ACHE
Bisdionin D SCHEMBL16120988 0.81 ADORA2B (0.79) ADORA2BGLABLMADORA3ACHE
SCHEMBL16192700 0.81 ADORA2B (0.68) ADORA2BGLABLMADORA2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132845-A1 GALNAC PHOSPHORAMIDITES AND THEIR USES SILENCE THERAPEUTICS GMBH (DE) 2025-06-26 WO claimed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
EP-4178948-A2 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF Universidade de Santiago de Compostela (ES) 2023-05-17 EP claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
WO-2022023496-A2 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2022-02-03 WO claimed
US-20200182859-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION UNIVERSITE DE FRIBOURG (CH) 2020-06-11 US claimed
EP-3412294-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION Universite De Fribourg (CH) 2018-12-12 EP claimed
US-8193201-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-06-05 US claimed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US claimed
US-20120052005-A1 COMBINATION THERAPY TO IMPROVE DRUG EFFICIENCY UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-01 US claimed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 US claimed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 EP claimed
US-20060128708-A1 Antagonizing an adenosine A2A receptor to ameliorate one or more components of addictive behavior THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-06-15 US claimed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 WO claimed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 US claimed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 US claimed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 US claimed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US claimed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 US claimed

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-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS ADORA2B 1339/4885GLA 3687/4885BLM 3909/4885
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 ADORA2B 2902/4885GLA 525/4885BLM 967/4885
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 ADORA2B 826/4885GLA 648/4885BLM 3384/4885
US-20120052005-A1 COMBINATION THERAPY TO IMPROVE DRUG EFFICIENCY ABCG2, ABCB1, ABCC1 ADORA2B 389/4885GLA 3262/4885BLM 679/4885
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS ADORA2B 1339/4885GLA 3687/4885BLM 3909/4885

“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.