SCHEMBL22857554

SCHEMBL22857554

O=C(/C=C/c1cccc(C(=O)OCc2ccccc2)c1)Nc1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.57
▸ IMPDH2 P12268 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ROCK1 Q13464 3/20 0.49
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ SIRT1 Q96EB6 3/20 0.49
▸ SIRT3 Q9NTG7 3/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ MEF2D Q14814 1/20 0.49
▸ PRMT3 O60678 1/20 0.48
▸ SENP1 Q9P0U3 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL22752027 0.94 ROCK2 (0.57) ROCK2IMPDH2CYP3A4ROCK1SIRT2
SCHEMBL20353451 0.86 CYP3A4 (0.55) IMPDH2CYP3A4RAB9ALMNAALDH1A1
SCHEMBL14124402 0.82 IMPDH2 (0.64) ROCK2IMPDH2CYP3A4ROCK1PRMT3
SCHEMBL20353520 0.77 CYP3A4 (0.52) ROCK2IMPDH2CYP3A4ROCK1RAB9A
SCHEMBL20353518 0.77 MEN1 (0.70) ROCK2IMPDH2CYP3A4RAB9ALMNA
SCHEMBL12058848 0.77 POLB (0.65) ROCK2IMPDH2ROCK1PRMT3LMNA
SCHEMBL20525005 0.76 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL22751944 0.76 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL20353547 0.76 BCHE (0.59) IMPDH2CYP3A4RAB9ALMNAALDH1A1
SCHEMBL20524931 0.75 CYP3A4 (0.57) ROCK2IMPDH2CYP3A4ROCK1PRMT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 — — 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 (4 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ROCK2 219/4885IMPDH2 1627/4885CYP3A4 4644/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ROCK2 219/4885IMPDH2 1627/4885CYP3A4 4644/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ROCK2 219/4885IMPDH2 1627/4885CYP3A4 4644/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ROCK2 219/4885IMPDH2 1627/4885CYP3A4 4644/4885

“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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