Sugi Predict

Sugi Predict / Compounds / SCHEMBL378879

SCHEMBL378879

SCHEMBL378879

O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 5/20 1.00
▸ XDH P47989 4/20 0.71
▸ ADORA2A P29274 3/20 0.55
▸ FGFR1 P11362 2/20 0.54
▸ FGFR2 P21802 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ TNKS O95271 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ BTK Q06187 1/20 0.46

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
SCHEMBL23607951 0.83 ADORA2B (0.71) ADORA2BXDHADORA2AFGFR1FGFR2
SCHEMBL23607984 0.83 ADORA2B (0.71) ADORA2BXDHADORA2ATNKSPARP1
SCHEMBL4927186 0.83 ADORA2B (0.70) ADORA2BXDHALDH1A1MAPTHPGD
SCHEMBL6796628 0.79 ADORA2B (0.64) ADORA2BXDHADORA2AADORA3ADORA1
SCHEMBL5970054 0.78 ADORA2B (0.63) ADORA2BXDHADORA2AFGFR1FGFR2
SCHEMBL9840020 0.78 ADORA2B (0.60) ADORA2BXDHADORA2AADORA3MEN1
SCHEMBL18036538 0.78 ADORA2B (0.63) ADORA2BXDHADORA2AFGFR1ALDH1A1
SCHEMBL9260246 0.77 ADORA2B (0.62) ADORA2BXDHADORA2AADORA3ADORA1
SCHEMBL1946781 0.77 ADORA2B (0.67) ADORA2BADORA2AADORA3ADORA1
SCHEMBL19066331 0.76 ADORA2B (0.60) ADORA2BXDHADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3624850-A1 COMBINATION THERAPIES FOR TREATING CANCER Tesaro, Inc. (US) 2020-03-25 — — EP claimed
CN-110913911-A Combination therapy for the treatment of cancer 特沙诺有限公司 2020-03-24 — — CN claimed
WO-2018213732-A1 COMBINATION THERAPIES FOR TREATING CANCER TESARO, INC. (US) 2018-11-22 — — WO claimed
US-20090137662-A1 SYNERGY OF DOPAMINE D2 AND ADENOSINE A2 RECEPTORS ACTIVATES PKA SIGNALING VIA BETA/GAMMA DIMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-05-28 — — US claimed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 — — US claimed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 — — US claimed
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 — — EP claimed
WO-2004070000-A2 HTLV-I-CELL BINDING AND INHIBITION THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-19 — — WO claimed
WO-2003082211-A2 SYNERGY OF DOPAMINE D2 AND ADENOSINE A2 RECEPTORS ACTIVATES PKA SIGNALING VIA BETA/GAMMA DIMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-10-09 — — WO claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 — — EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 — — US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 — — EP claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 — — WO claimed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 — — US claimed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 — — EP claimed
CN-113166071-B Nilaparil salt 特沙诺有限公司 2025-03-21 — — CN disclosed
CN-119552152-A Thyroid hormone receptor agonists 益方生物科技(上海)股份有限公司 2025-03-04 — — CN disclosed
EP-0092398-A1 Substituted 8-phenylxanthines WARNER-LAMBERT COMPANY (US) 1983-10-26 — — EP disclosed
EP-0092398-A1 Substituted 8-phenylxanthines WARNER-LAMBERT COMPANY (US) 1983-10-26 — — EP disclosed
EP-0092398-A1 Substituted 8-phenylxanthines WARNER-LAMBERT COMPANY (US) 1983-10-26 — — 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 (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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB ADORA2B 1011/4885XDH 235/4885ADORA2A 2052/4885
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885XDH 1617/4885ADORA2A 2/4885

“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.