SCHEMBL10362802

SCHEMBL10362802

COc1cc2[nH]c(=O)c(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3C)cc2cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.66
▸ DYRK1B Q9Y463 8/20 0.59
▸ SRD5A1 P18405 1/20 0.45
▸ SRD5A2 P31213 1/20 0.45
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL10379883 0.94 DYRK1A (0.72) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL10362828 0.93 DYRK1A (0.66) DYRK1ADYRK1BSRD5A1SRD5A2ALDH1A1
SCHEMBL10380729 0.92 DYRK1A (0.66) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL11952533 0.91 DYRK1A (0.67) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL10361589 0.90 DYRK1A (0.64) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL10362982 0.89 DYRK1A (0.69) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL10381960 0.89 DYRK1A (0.72) DYRK1ADYRK1BALDH1A1MEN1KMT2A
SCHEMBL10380497 0.85 DYRK1A (0.81) DYRK1ADYRK1BROCK2ROCK1ALDH1A1
SCHEMBL10319618 0.85 DYRK1A (0.67) DYRK1ADYRK1BROCK2ROCK1
SCHEMBL10331222 0.84 DYRK1A (0.66) DYRK1ADYRK1BROCK2ROCK1

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-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 — — US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA DYRK1A 2480/4885DYRK1B 3023/4885SRD5A1 912/4885

“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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