SCHEMBL21903886

SCHEMBL21903886

COc1cc(C#N)cc2c1CCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL21903872 0.77 KDM1A (0.33) ALDH1A1CYP11B2CYP11B1
SCHEMBL6646783 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ENCOA1NCOA3
SCHEMBL1613135 0.76 HTR2A (0.39) HTR2ANCOA1NCOA3
SCHEMBL1880026 0.76 CYP3A4 (0.44) ALDH1A1HTR2ANCOA1NCOA3
SCHEMBL25871456 0.75 ALDH1A1 (0.34) ARALDH1A1CYP11B2CYP11B1NR3C1
SCHEMBL21903966 0.71 GPR35 (0.38) ALDH1A1GSK3BGPR35
SCHEMBL31492103 0.71 GPR35 (0.38) ALDH1A1GSK3BGPR35
SCHEMBL5565741 0.70 ATM (0.40) ALDH1A1KDM4ENCOA1NCOA3CCNB2
SCHEMBL31492117 0.70 CHRNA1 (0.35) CYP11B2SLC6A4
SCHEMBL21903898 0.70 CHRNA1 (0.35) CYP11B2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227054-B ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2025-04-11 — — CN disclosed
EP-3877364-B1 ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2024-08-21 — — EP disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2022-04-21 — — US disclosed
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2022-04-21 — — US disclosed
EP-3877364-A1 ROCK KINASE INHIBITORS Cervello Therapeutics, LLC (US) 2021-09-15 — — EP disclosed
CN-113227054-A ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2021-08-06 — — CN disclosed
US-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2020-08-18 — — US disclosed
US-20200140412-A1 ROCK KINASE INHIBITORS CERVELLO THERAPEUTICS, LLC. 2020-05-07 — — 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-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors ROCK1, ROCK2, CIT AR 4158/4885ALDH1A1 4264/4885KDM4E 708/4885
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT AR 4375/4885ALDH1A1 4101/4885KDM4E 566/4885
US-20200140412-A1 ROCK KINASE INHIBITORS ROCK1, ROCK2, RHOA AR 4364/4885ALDH1A1 3759/4885KDM4E 817/4885
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS ROCK1, ROCK2, CIT AR 4375/4885ALDH1A1 4101/4885KDM4E 566/4885

“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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