SCHEMBL10446965

SCHEMBL10446965

O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(NC(=O)c2cc3cnc(NCCN4CCCC4)nc3[nH]c2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.68
▸ DYRK1B Q9Y463 17/20 0.68

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
SCHEMBL10446561 0.94 DYRK1A (0.68) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10322671 0.94 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL10446582 0.90 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL10446966 0.90 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL10322930 0.89 DYRK1A (0.74) DYRK1ADYRK1B
SCHEMBL10324245 0.87 DYRK1A (0.66) DYRK1ADYRK1B
SCHEMBL10324361 0.84 DYRK1A (0.73) DYRK1ADYRK1B
SCHEMBL10323986 0.83 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL10446533 0.83 DYRK1A (0.71) DYRK1ADYRK1B
SCHEMBL10446721 0.83 DYRK1A (0.76) DYRK1ADYRK1B

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — 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 (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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD DYRK1A 654/4885DYRK1B 570/4885

“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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