SCHEMBL10324514

SCHEMBL10324514

O=C(NCc1cccc(Cl)c1)c1cccc(N(Cl)C(=O)c2cc3cnc(N4CCN(C(=O)O)CC4)nc3[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.49
▸ DYRK1B Q9Y463 6/20 0.49
▸ CXCR3 P49682 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ CHRM3 P20309 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ LMNA P02545 1/20 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
SCHEMBL11304261 0.90 DYRK1A (0.49) DYRK1ADYRK1BNPC1TP53ROCK2
SCHEMBL10323582 0.90 DYRK1A (0.48) DYRK1ADYRK1BCXCR3TP53LMNA
SCHEMBL10324510 0.85 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10323240 0.84 DYRK1A (0.47) DYRK1ADYRK1BTP53LMNA
SCHEMBL10323719 0.81 DYRK1A (0.49) DYRK1ADYRK1BNPC1ROCK2LMNA
SCHEMBL10324491 0.79 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL10324084 0.79 DYRK1A (0.48) DYRK1ADYRK1BTP53LMNA
SCHEMBL11950589 0.77 DYRK1A (0.61) DYRK1ADYRK1BCXCR3
SCHEMBL10446533 0.77 DYRK1A (0.71) DYRK1ADYRK1B
SCHEMBL10447004 0.76 DYRK1A (0.70) 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 570/4885CXCR3 3294/4885

“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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