SCHEMBL3578261

SCHEMBL3578261

CC(C)c1ncc2nc[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL32674614 1.00 KDM4E (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6950633 0.82 CDK1 (0.30)
SCHEMBL10852256 0.81
SCHEMBL14993000 0.81 KDM4E (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2640834 0.80 APLNR (0.33)
SCHEMBL28793534 0.78 KDM4E (0.34) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12413624 0.75 LMNA (0.32)
SCHEMBL2640870 0.75
SCHEMBL375954 0.74 PDK2 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7943071 0.73 KDM4E (0.30) KDM4E

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 60 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-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
US-11892453-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis INBIOMOTION S.L. (ES) 2024-02-06 US disclosed
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis INBIOMOTION S.L. (ES) 2023-12-12 US disclosed
US-20230323356-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2023-10-12 US disclosed
US-11591599-B2 Method for the diagnosis, prognosis and treatment of cancer metastasis FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2023-02-28 US disclosed
US-11352673-B2 Method for the diagnosis, prognosis and treatment of lung cancer metastasis FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) 2022-06-07 US disclosed
US-20220049316-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) (ES) 2022-02-17 US disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
EP-1802310-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-07-04 EP disclosed
WO-2006042949-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-04-27 WO disclosed
US-20050159432-A1 Short form c-Maf transcription factor antagonists for treatment of glaucoma ALCON, INC. (CH) 2005-07-21 US disclosed
US-20050136043-A1 TGFbeta signaling inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2005-06-23 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
EP-1147108-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2001-10-24 EP disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 WO disclosed
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 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 (11 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-20050136043-A1 TGFbeta signaling inhibitors TGFBR1, TGFBR2, TGFB1 KDM4E 2159/4885ALDH1A1 4561/4885GLA 1142/4885
US-20230323356-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK KDM4E 2686/4885ALDH1A1 3426/4885GLA 1703/4885
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 KDM4E 4054/4885ALDH1A1 1092/4885GLA 3631/4885
US-11892453-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, MAFK, ACP3 KDM4E 1212/4885ALDH1A1 2286/4885GLA 3072/4885
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR KDM4E 1102/4885ALDH1A1 1914/4885GLA 2032/4885
US-11591599-B2 Method for the diagnosis, prognosis and treatment of cancer metastasis MAFG, RHOXF2, MAFK KDM4E 2686/4885ALDH1A1 3426/4885GLA 1703/4885
US-20220049316-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS MAFG, MAFK, CRACR2A KDM4E 844/4885ALDH1A1 2951/4885GLA 3407/4885
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, ACP3, MAFK KDM4E 1118/4885ALDH1A1 1738/4885GLA 2563/4885
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK KDM4E 2686/4885ALDH1A1 3426/4885GLA 1703/4885
US-11352673-B2 Method for the diagnosis, prognosis and treatment of lung cancer metastasis MAFG, MAFK, MYCBP KDM4E 1304/4885ALDH1A1 2678/4885GLA 3488/4885
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR KDM4E 1102/4885ALDH1A1 1914/4885GLA 2032/4885

“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.