SCHEMBL29545343

SCHEMBL29545343

CN1CCN(c2ccc([N+](=O)[O-])cc2Nc2nccc(N)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.62
KMT2A Q03164 6/20 0.62
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
GAA P10253 1/20 0.51
PIM1 P11309 1/20 0.50
CDK4 P11802 1/20 0.50
CCND3 P30281 1/20 0.50
MTOR P42345 1/20 0.50
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL24429916 1.00 WDR5 (0.62) WDR5KMT2ACCNA2CDK2CCNA1
SCHEMBL24429910 0.87 WDR5 (0.65) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29891168 0.87 WDR5 (0.65) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29544904 0.79 WDR5 (0.66) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429876 0.79 WDR5 (0.66) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429908 0.76 WDR5 (1.00) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29544956 0.76 WDR5 (0.71) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429899 0.76 WDR5 (0.71) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL29545141 0.76 WDR5 (1.00) WDR5KMT2AGAAALDH1A1CYP2D6
SCHEMBL24429879 0.76 WDR5 (1.00) WDR5KMT2A

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-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-10-28 US disclosed
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-05-19 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-12453731-B2 Aniline-based WDR5 protein-protein interaction inhibitor, and preparation method and use thereof MLLT1, WDR77, MLLT3 WDR5 4/4885KMT2A 38/4885CCNA2 1183/4885
US-20220152027-A1 ANILINE-BASED WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR, AND PREPARATION METHOD AND USE THEREOF MLLT1, WDR77, MLLT3 WDR5 4/4885KMT2A 38/4885CCNA2 1183/4885

“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.