SCHEMBL10320756

SCHEMBL10320756

COC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]c2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.79
▸ DYRK1B Q9Y463 14/20 0.79
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL10318579 0.93 DYRK1A (0.69) DYRK1ADYRK1BALDH1A1
SCHEMBL11950316 0.90 DYRK1A (0.64) DYRK1ADYRK1BALDH1A1LMNANPC1
SCHEMBL10361385 0.89 DYRK1A (0.63) DYRK1ADYRK1BALDH1A1NPC1POLB
SCHEMBL10318281 0.88 DYRK1A (1.00) DYRK1ADYRK1BALDH1A1LMNA
SCHEMBL10319359 0.85 DYRK1A (0.58) DYRK1ADYRK1B
SCHEMBL10322245 0.84 DYRK1A (0.72) DYRK1ADYRK1B
SCHEMBL10317577 0.82 DYRK1A (0.85) DYRK1ADYRK1BALDH1A1
SCHEMBL10318061 0.82 DYRK1A (0.85) DYRK1ADYRK1BALDH1A1
SCHEMBL10320633 0.80 DYRK1A (0.72) DYRK1ADYRK1BALDH1A1
SCHEMBL10319139 0.80 DYRK1A (0.84) DYRK1ADYRK1BALDH1A1LMNAPOLB

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 6 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 claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 — — US claimed
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
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 3023/4885ALDH1A1 62/4885

“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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