SCHEMBL12371643

SCHEMBL12371643

CC(C)(C)OC(=O)N1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
STS P08842 2/20 0.52
CYP3A4 P08684 2/20 0.50
CYP3A5 P20815 2/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MGLL Q99685 2/20 0.48
ABHD6 Q9BV23 1/20 0.48
GLS O94925 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 3/20 0.46
POLB P06746 1/20 0.44
VEGFA P15692 1/20 0.44

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
SCHEMBL14128435 0.88 GPR119 (0.50) MEN1KMT2ACYP3A4CYP3A5HTT
SCHEMBL1852622 0.88 GLS (0.57) MEN1KMT2ACYP3A4CYP3A5HTT
SCHEMBL25083480 0.88 MEN1 (0.54) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL23532330 0.88 MEN1 (0.54) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL5183732 0.87 MEN1 (0.49) MEN1KMT2ACYP3A4CYP3A5HTT
SCHEMBL23532403 0.86 MEN1 (0.53) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL19668434 0.86 ALDH1A1 (0.55) MEN1KMT2ASTSHTTNPC1
SCHEMBL4883412 0.86 CYP3A4 (0.52) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL17276580 0.85 MGLL (0.64) MEN1KMT2ASTSCYP3A4CYP3A5
SCHEMBL19668662 0.85 MAPT (0.55) CYP3A4CYP3A5HTTNPC1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-03-02 US disclosed
EP-4077329-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER Imperial College Innovations Limited (GB) 2022-10-26 EP disclosed
WO-2021123798-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-06-24 WO disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US 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-20230064189-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER DPYD, ABCC1, TYMP MEN1 1923/4885KMT2A 2582/4885STS 3011/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 MEN1 3071/4885KMT2A 3363/4885STS 2747/4885

“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.