SCHEMBL25290010

SCHEMBL25290010

O=C(O)N1CCOC(Cn2ccnc2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
PDK1 Q15118 5/20 0.34
HPGD P15428 1/20 0.32
BRD4 O60885 1/20 0.32
PPIB P23284 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL25874576 0.83 EPHA2 (0.44) CYP19A1
SCHEMBL25292333 0.75 CYP19A1 (0.35) CYP19A1
SCHEMBL25238333 0.75 CYP19A1 (0.35) CYP19A1
SCHEMBL26117273 0.73 CNR1 (0.36) CYP19A1PDK1HPGDPPIB
SCHEMBL26115781 0.73 CNR1 (0.36) CYP19A1PDK1HPGDPPIB
SCHEMBL26115783 0.73 CNR1 (0.36) CYP19A1PDK1HPGDPPIB
SCHEMBL16876018 0.72 PKM (0.38) CYP19A1PDK1HPGDPIK3CDPIK3R2
SCHEMBL27139836 0.71 KRAS (0.35) CYP19A1PDK1PPIB
SCHEMBL27139834 0.71 KRAS (0.35) CYP19A1PDK1PPIB
SCHEMBL3488393 0.70 PDK1 (0.42) CYP19A1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 CYP19A1 2485/4885PDK1 3685/4885HPGD 3732/4885

“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.