SCHEMBL10323056

SCHEMBL10323056

O=C(O)NC1CCN(c2ncc3cc(C(=O)N(Cl)c4cccc(C(=O)NC(CCO)c5ccccc5)c4)c(=O)[nH]c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.56
▸ DYRK1B Q9Y463 13/20 0.56
▸ MAPK8 P45983 1/20 0.37
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL10323484 0.92 DYRK1A (0.51) DYRK1ADYRK1BMAPK8ROCK2ROCK1
SCHEMBL10323992 0.85 DYRK1A (0.46) DYRK1ADYRK1BCCNE1CDK2
SCHEMBL10323055 0.85 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL10323991 0.80 DYRK1A (0.74) DYRK1ADYRK1B
SCHEMBL10323504 0.78 DYRK1A (0.43) DYRK1ADYRK1BMAPK8
SCHEMBL10323483 0.77 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL10447132 0.77 DYRK1A (0.90) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10323428 0.76 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL11952861 0.76 DYRK1A (0.63) DYRK1ADYRK1B
SCHEMBL11952069 0.75 DYRK1A (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 570/4885MAPK8 2282/4885

“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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