SCHEMBL387340

SCHEMBL387340

Cc1nc2[nH]c(=O)n(C)c(=O)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.55
ADORA2A P29274 2/20 0.55
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
PDE2A O00408 3/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
APAF1 O14727 1/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 3/20 0.40

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
SCHEMBL516430 0.81 PDE2A (0.44) ADORA2BADORA2AALDH1A1LMNACYP3A4
Theobromine SCHEMBL2328879 0.80 CYP3A4 (0.66) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL6381402 0.79 ADORA2B (0.36) ADORA2BADORA2APDE2APDE1APDE1B
SCHEMBL22521882 0.79 ADORA2B (0.54) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL21935452 0.79 ADORA2B (0.54) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL3182825 0.79 ADORA2B (0.54) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL19112343 0.77 ADORA2B (0.51) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL5461564 0.77 ADORA2B (0.51) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL516431 0.77 ADORA2B (0.55) ADORA2BADORA2AALDH1A1LMNACYP3A4
SCHEMBL15003910 0.75 ADORA2B (0.50) ADORA2BADORA2AALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068213-A1 USE OF A MARKER SET FOR DETERMINING THE RISK OF HAVING OR DEVELOPING BLADDER CANCER NUMARES AG (DE) 2025-04-03 WO claimed
WO-2024151651-A1 METHOD FOR TREATING NETOSIS-MEDIATED DISEASES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2024-07-18 WO claimed
WO-2022075354-A1 A METHOD FOR OBTAINING AN INDEX FOR THE DIAGNOSIS OF ALZHEIMER'S DISEASE (AD) OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2022-04-14 WO claimed
EP-3946353-A1 COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA ASSISTANCE PUBLIQUE, HOPITAUX DE PARIS (FR) 2022-02-09 EP claimed
US-20170362616-A1 BIOSYNTHETIC PRODUCTION OF CAFFEINE CODEXIS INC (US) 2017-12-21 US claimed
EP-3223621-A1 BIOSYNTHETIC PRODUCTION OF CAFFEINE Codexis, Inc. (US) 2017-10-04 EP claimed
EP-2603227-B1 IMPROVED HEMATOPOIETIC STEM AND PROGENITOR CELL THERAPY FATE THERAPEUTICS INC (US) 2017-10-04 EP claimed
EP-3217984-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 Universitat de València (ES) 2017-09-20 EP claimed
CN-107028936-A Carotenoid particle and its application IP科技有限公司 2017-08-11 CN claimed
US-20170049893-A1 CAROTENOID PARTICLES AND USES THEREOF IP SCIENCE LIMITED (GB) 2017-02-23 US claimed
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 WO claimed
EP-0508848-B1 Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine OREAL (FR) 1995-07-19 EP claimed
US-5399688-A Caffeine recovery from activated carbon JACOBS SUCHARD AG (CH) 1995-03-21 US claimed
EP-0583498-A1 Improved caffeine recovery from activated carbon Jacobs Suchard AG (CH) 1994-02-23 EP claimed
EP-0508848-A1 Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine L'OREAL (FR) 1992-10-14 EP claimed
US-4581359-A FOR BRONCHOPULMONARY INSUFFUCIENCY THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1986-04-08 US claimed
EP-0169236-A1 CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS BATTELLE DEVELOPMENT CORPORATION (US) 1986-01-29 EP claimed
WO-1985003000-A1 CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS BATTELLE DEVELOPMENT CORPORATION (US) 1985-07-18 WO claimed
EP-0045617-A2 Pharmaceutical composition Smith and Nephew Associated Companies p.l.c. (GB) 1982-02-10 EP claimed
US-4189469-A Pharmaceutical compositions HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (1 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-20170049893-A1 CAROTENOID PARTICLES AND USES THEREOF CHLSN, NPC1L1, LPL ADORA2B 3903/4885ADORA2A 3376/4885ALDH1A1 4110/4885

“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.