SCHEMBL754943

SCHEMBL754943

CC(C)n1cnc2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
ADORA2B P29275 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
FDPS P14324 1/20 0.43
CDK2 P24941 9/20 0.42
CCNA2 P20248 7/20 0.42
CCNA1 P78396 7/20 0.42
CDK5 Q00535 6/20 0.42
DYRK1A Q13627 6/20 0.42
CDK5R1 Q15078 6/20 0.42
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNE1 P24864 1/20 0.39
CCNB2 O95067 4/20 0.37
CCNB3 Q8WWL7 4/20 0.37
PIK3CD O00329 1/20 0.36

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
SCHEMBL30539287 1.00 ADORA2A (0.47) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL5025564 0.85 FDPS (0.41) ADORA2AADORA1PI4KBADORA2BPI4KA
Tert-Butyl Formate SCHEMBL27997839 0.83 FDPS (0.36) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL22571187 0.82 ADORA2A (0.53) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL19392006 0.81 FDPS (0.38) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL19392060 0.81 FDPS (0.38) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL28186936 0.81 FDPS (0.43) FDPSCDK2CCNA2CCNA1CDK5
SCHEMBL14993002 0.81 FDPS (0.43) FDPSHDAC1HDAC6MEN1ALDH1A1
SCHEMBL27497585 0.81 CCNB2 (0.40) ADORA2AADORA1PI4KBADORA2BPI4KA
SCHEMBL1831228 0.80 USP5 (0.48) FDPSCDK2CCNA2CCNA1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876474-A Dimethoxy tetrahydroisoquinoline substituted purine derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-01 CN claimed
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) 2020-12-15 US claimed
US-20260015339-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY UNIVERSITE GRENOBLE ALPES (FR) 2026-01-15 US disclosed
EP-4655285-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY Université Grenoble Alpes (FR) 2025-12-03 EP disclosed
US-12312642-B2 Method for the diagnosis, prognosis and treatment of breast cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) (ES) 2025-05-27 US disclosed
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2025-04-10 US disclosed
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) and INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) 2025-01-14 US disclosed
WO-2024156819-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY UNIVERSITE GRENOBLE ALPES (FR) 2024-08-02 WO disclosed
EP-4406939-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY Université Grenoble Alpes (FR) 2024-07-31 EP disclosed
US-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 WO disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 WO disclosed
CN-1231611-A Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV THERAPEUTIC INC (US) 1999-10-13 CN disclosed
US-5866702-A Purine inhibitors of cyclin dependent kinase 2 CV THERAPEUTICS, INCORPORATION (US) 1999-02-02 US disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO disclosed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 WO 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 (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-20260015339-A1 CALIX[4]ARENES WITH HIGH ANTICANCER ACTIVITY CBR1, CYP4X1, CBR3 ADORA2A 2242/4885ADORA1 1017/4885PI4KB 2091/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ADORA2A 3249/4885ADORA1 3200/4885PI4KB 228/4885
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR ADORA2A 2188/4885ADORA1 1380/4885PI4KB 3218/4885
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK ADORA2A 4661/4885ADORA1 4785/4885PI4KB 3736/4885
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR ADORA2A 2188/4885ADORA1 1380/4885PI4KB 3218/4885

“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.