SCHEMBL579693

SCHEMBL579693

Cn1c(=O)c2c(ncn2Cl)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.68
POLB P06746 2/20 0.68
PIK3CD O00329 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CNR1 P21554 1/20 0.68
ACHE P22303 1/20 0.68
ADORA2A P29274 1/20 0.68
ADORA1 P30542 1/20 0.68
NTSR1 P30989 1/20 0.68
MC3R P41968 1/20 0.68
NOTUM Q6P988 1/20 0.68
SIRT3 Q9NTG7 1/20 0.68
GDA Q9Y2T3 1/20 0.68
NR2E1 Q9Y466 1/20 0.68
MAPT P10636 1/20 0.61
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPK1 P28482 1/20 0.54
ABCC8 Q09428 1/20 0.51

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
SCHEMBL24400362 0.87 ADORA2B (0.51) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL29549294 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL29549224 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL10478364 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL8569482 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11698769 0.81 ADORA2B (0.72) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL901194 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL29590919 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL5671 0.81 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL6694833 0.80 ADORA2B (0.89) ADORA2BPOLBPIK3CDADORA3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541006-B2 Aqueous formulation for insoluble drugs Chen, Andrew Xian (US) 2023-01-03 US claimed
CN-113993524-A Use of lipid compounds for preventing or treating diabetes 中国医学科学院基础医学研究所 2022-01-28 CN claimed
WO-2022008134-A1 TREATMENT OF SEASONAL HAIR THINNING DR. KURT WOLFF GMBH & CO. KG (DE) 2022-01-13 WO claimed
EP-3936110-A1 TREATMENT OF SEASONAL HAIR THINNING Dr. Kurt Wolff GmbH & Co. KG (DE) 2022-01-12 EP claimed
EP-3761961-A1 AQUEOUS FORMULATIONS FOR INSOLUBLE DRUGS Chen, Andrew Xian (US) 2021-01-13 EP claimed
US-20200368159-A1 AQUEOUS FORMULATION FOR INSOLUBLE DRUGS Chen, Andrew Xian (US) 2020-11-26 US claimed
WO-2019173526-A1 AQUEOUS FORMULATIONS FOR INSOLUBLE DRUGS CHEN ANDREW XIAN (US) 2019-09-12 WO claimed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US claimed
US-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-10-09 US disclosed
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
CN-115368264-B Compounds, liposomes and uses thereof 北京理工大学 2025-03-07 CN disclosed
CN-116217575-B Preparation method of 8-bromine theophylline 广东赛烽医药科技有限公司 2025-01-10 CN disclosed
CN-119255997-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2025-01-03 CN disclosed
CN-119233976-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2024-12-31 CN disclosed
US-5096716-A Dosage form for administering calcium antagonist nicardipine ALZA CORPORATION (US) 1992-03-17 US disclosed
EP-0250083-B1 DOSAGE FORM WITH MEANS FOR GOVERNING RATE OF GAS FORMATION ALZA CORPORATION (US) 1991-12-04 EP disclosed
EP-0455648-A1 DOSAGE FORM FOR ADMINISTERING CALCIUM ANTAGONIST. ALZA CORP (US) 1991-11-13 EP disclosed
WO-1990008536-A1 DOSAGE FORM FOR ADMINISTERING CALCIUM ANTAGONIST ALZA CORPORATION (US) 1990-08-09 WO disclosed
US-4847093-A Dosage form with means for governing rate of gas formation ALZA CORPORATION (US) 1989-07-11 US disclosed
EP-0250083-A2 Dosage form with means for governing rate of gas formation ALZA CORPORATION (US) 1987-12-23 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-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, HSD17B11, CYP17A1 ADORA2B 4168/4885POLB 4434/4885PIK3CD 2699/4885
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF TK1, XDH, KYAT1 ADORA2B 2865/4885POLB 554/4885PIK3CD 4494/4885

“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.