SCHEMBL3578263

SCHEMBL3578263

CC(C)c1nc2ncncc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPY5R Q15761 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
FPR1 P21462 1/20 0.32
ENPP1 P22413 1/20 0.32
GSK3B P49841 1/20 0.32
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL30895599 0.86 METAP2 (0.42) METAP2METAP1NPY5RFPR1ENPP1
SCHEMBL459827 0.75 METAP2 (0.39) METAP2METAP1NPY5RFPR1
SCHEMBL11498402 0.75 METAP2 (0.39) METAP2METAP1NPY5R
SCHEMBL31064848 0.75 SMN1; SMN2 (0.52) METAP2METAP1ALDH1A1NPY5RENPP1
SCHEMBL375955 0.75 SMN1; SMN2 (0.52) METAP2METAP1ALDH1A1NPY5RENPP1
SCHEMBL889310 0.74 HSD17B10 (0.39) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL8741745 0.74 METAP2 (0.38) METAP2METAP1KDM4EFPR1ENPP1
SCHEMBL798546 0.73 HSD17B10 (0.41) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL890077 0.73 AURKA (0.47) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL9121473 0.72 METAP2 (0.45) METAP2METAP1NPY5RENPP1

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 87 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
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 WO disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 WO disclosed
CN-1231611-A Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV THERAPEUTIC INC (US) 1999-10-13 CN disclosed
US-5866702-A Purine inhibitors of cyclin dependent kinase 2 CV THERAPEUTICS, INCORPORATION (US) 1999-02-02 US disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$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 (9 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-20230323356-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK METAP2 660/4885METAP1 571/4885HSD17B10 3761/4885
US-11892453-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, MAFK, ACP3 METAP2 386/4885METAP1 175/4885HSD17B10 2076/4885
US-12196758-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR METAP2 649/4885METAP1 382/4885HSD17B10 2885/4885
US-11591599-B2 Method for the diagnosis, prognosis and treatment of cancer metastasis MAFG, RHOXF2, MAFK METAP2 660/4885METAP1 571/4885HSD17B10 3761/4885
US-20220049316-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS MAFG, MAFK, CRACR2A METAP2 573/4885METAP1 255/4885HSD17B10 1894/4885
US-11840740-B2 Method for the diagnosis, prognosis and treatment of prostate cancer metastasis MAFG, ACP3, MAFK METAP2 279/4885METAP1 122/4885HSD17B10 1955/4885
US-20250115912-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS MAFG, RHOXF2, MAFK METAP2 660/4885METAP1 571/4885HSD17B10 3761/4885
US-11352673-B2 Method for the diagnosis, prognosis and treatment of lung cancer metastasis MAFG, MAFK, MYCBP METAP2 690/4885METAP1 307/4885HSD17B10 3456/4885
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR METAP2 649/4885METAP1 382/4885HSD17B10 2885/4885

“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.