SCHEMBL25083520

SCHEMBL25083520

CN(C)CCNC(c1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.55
AKT1 P31749 11/20 0.42
AKT2 P31751 8/20 0.42
RPS6KA3 P51812 3/20 0.42
GSK3B P49841 1/20 0.42
ROCK2 O75116 4/20 0.37
AKT3 Q9Y243 3/20 0.37
KCNH2 Q12809 1/20 0.37
AKT1S1 Q96B36 3/20 0.37

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
SCHEMBL473365 0.92 RPS6KB1 (0.46) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL10157823 0.89 AKT2 (0.42) RPS6KB1AKT1AKT2GSK3BROCK2
SCHEMBL473355 0.88 AKT1 (0.43) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL25083523 0.87 RPS6KB1 (0.55) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL473379 0.84 RPS6KB1 (0.53) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL473380 0.84 RPS6KB1 (0.53) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL473322 0.84 AKT1 (0.42) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL473338 0.84 RPS6KB1 (0.53) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL29894639 0.84 RPS6KB1 (0.53) RPS6KB1AKT1AKT2RPS6KA3GSK3B
SCHEMBL23532535 0.84 AKT2 (0.44) RPS6KB1AKT1AKT2RPS6KA3GSK3B

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 3 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 claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RPS6KB1 1491/4885AKT1 2327/4885AKT2 2208/4885

“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.