SCHEMBL10321365

SCHEMBL10321365

COCCOc1cc2cc(C(=O)Nc3cc(C(=O)OC)ccc3C)c(=O)[nH]c2cc1OCCOC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.80
▸ DYRK1B Q9Y463 4/20 0.80
▸ MAPK14 Q16539 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MDH1 P40925 1/20 0.39

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
SCHEMBL10317577 0.97 DYRK1A (0.85) DYRK1ADYRK1BMAPK14HDAC1HDAC8
SCHEMBL10318061 0.97 DYRK1A (0.85) DYRK1ADYRK1BMAPK14HDAC1HDAC8
SCHEMBL10318005 0.90 DYRK1A (0.73) DYRK1ADYRK1BHDAC1HDAC8HDAC6
SCHEMBL10318281 0.89 DYRK1A (1.00) DYRK1ADYRK1BMAPK14HDAC8MAPT
SCHEMBL10323321 0.89 DYRK1A (0.64) DYRK1ADYRK1BMAPK14L3MBTL1TSHR
SCHEMBL10318579 0.87 DYRK1A (0.69) DYRK1ADYRK1BALDH1A1
SCHEMBL10320680 0.84 DYRK1A (0.71) DYRK1ADYRK1BMAPK14ALDH1A1LMNA
SCHEMBL11333469 0.81 DYRK1A (0.60) DYRK1ADYRK1BL3MBTL1MAPTALDH1A1
SCHEMBL10320590 0.81 DYRK1A (0.49) DYRK1ADYRK1BMAPTALDH1A1TSHR
SCHEMBL10319139 0.81 DYRK1A (0.84) DYRK1ADYRK1BL3MBTL1MAPTALDH1A1

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 7 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
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 3023/4885MAPK14 1729/4885

“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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