SCHEMBL23630577

SCHEMBL23630577

CNc1ncnc2c1c(-c1ccc(-c3ccccc3)cc1)nn2CC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 4/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PSMC4 P43686 1/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ FYN P06241 7/20 0.43
▸ SRC P12931 3/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PRKD3 O94806 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL32659768 1.00 VCP (0.48) VCPCYP1A2MAPK1KDM4ETP53
SCHEMBL23630571 0.92 PIK3CD (0.50) VCPCYP1A2MAPK1KDM4ETP53
SCHEMBL32659771 0.92 PIK3CD (0.50) VCPCYP1A2MAPK1KDM4ETP53
SCHEMBL32659777 0.87 PIK3CD (0.39) VCPPIK3CDPIK3CBPIK3CGSRC
SCHEMBL23630535 0.87 PIK3CD (0.39) VCPPIK3CDPIK3CBPIK3CGSRC
SCHEMBL23630566 0.83 PIK3CD (0.53) VCPCYP1A2MAPK1KDM4ETP53
SCHEMBL32659750 0.83 PIK3CD (0.53) VCPCYP1A2MAPK1KDM4ETP53
SCHEMBL23630581 0.79 SRC (0.53) PIK3CDPIK3CBPIK3CGSRCEGFR
SCHEMBL32659753 0.79 SRC (0.53) PIK3CDPIK3CBPIK3CGSRCEGFR
SCHEMBL23630573 0.77 SRC (0.57) TP53MEN1KMT2ASRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125057-A1 Modified Pyrrolo- and Pyrazolo- Pyrimidines for Prostate Cancer Therapy UNIVERSITY OF WASHINGTON 2023-04-20 — — US disclosed
WO-2021142170-A1 MODIFIED PYRROLO- AND PYRAZOLO- PYRIMIDINES FOR PROSTATE CANCER THERAPY UNIVERSITY OF WASHINGTON (US) 2021-07-15 — — 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 (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-20230125057-A1 Modified Pyrrolo- and Pyrazolo- Pyrimidines for Prostate Cancer Therapy PDK2, PDK1, PC VCP 2215/4885CYP1A2 2655/4885MAPK1 1205/4885

“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.

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