SCHEMBL25062059

SCHEMBL25062059

O=C1NCc2c(Br)cc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ CAPN9 O14815 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ PIK3CG P48736 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL29698223 0.84 PARP10 (0.50) ALDH1A1GLACYP3A4TDP1CYP19A1
SCHEMBL1335402 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1CYP19A1CAPN9
SCHEMBL29222583 0.74 S100A4 (0.44) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL30068832 0.73 PIM1 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL24147834 0.73 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1334392 0.73 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL25260852 0.73 PIM1 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL25411512 0.73 CLK4 (0.53) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1335593 0.70 LRRK2 (0.50) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL19358266 0.70 CYP3A4 (0.54) ALDH1A1GLACYP3A4TDP1CYP19A1

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-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 — — US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 — — US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 — — 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-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS PIM1 2977/4885CSNK1A1 1612/4885CDK5 209/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS PIM1 2977/4885CSNK1A1 1612/4885CDK5 209/4885

“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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