SCHEMBL31179441

SCHEMBL31179441

O=Cc1ccc2cnccc2c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 9/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ CLK1 P49759 1/20 0.47
▸ ERN1 O75460 2/20 0.46
▸ DAPK3 O43293 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ PLK3 Q9H4B4 1/20 0.44
▸ PLK2 Q9NYY3 1/20 0.44
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ IMPDH2 P12268 3/20 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
SCHEMBL12804385 0.80 HASPIN (0.45) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL6880218 0.80 HASPIN (0.45) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL6881715 0.80 HASPIN (0.45) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL27136433 0.80 HASPIN (0.45) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL17348530 0.78 HASPIN (0.45) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL25258523 0.78 HASPIN (0.48) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL1982292 0.78 TSHR (0.60) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL3589139 0.78 HASPIN (0.54) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL14423247 0.78 HASPIN (0.54) HASPINGSK3BCLK1ERN1DAPK3
SCHEMBL568019 0.78 HASPIN (0.54) HASPINGSK3BCLK1ERN1DAPK3

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-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2026-03-05 — — US disclosed
EP-4647424-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-11-12 — — EP disclosed
WO-2024181437-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY 中外製薬株式会社 2024-09-06 — — 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-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY MYT1, NTMT1, MYL6 HASPIN 2567/4885GSK3B 1621/4885CLK1 1262/4885

“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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