Sugi Predict

Sugi Predict / Compounds / SCHEMBL5657552

SCHEMBL5657552

SCHEMBL5657552

Cc1cncc2cccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NSD2 O96028 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CD44 P16070 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ROCK2 O75116 5/20 0.37
▸ ROCK1 Q13464 4/20 0.37
▸ PRKACA P17612 2/20 0.36
▸ PRKCZ Q05513 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DCLK1 O15075 1/20 0.36

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
SCHEMBL17278414 0.84 CYP3A4 (0.41) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL637008 0.81 CYP3A4 (0.50) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL31732851 0.81 CYP3A4 (0.50) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8404527 0.81 CYP1A2 (0.41) CYP3A4CYP1A2TSHRTDP1KDM4E
SCHEMBL31484742 0.76 CD44 (0.54) CYP3A4CYP1A2CD44TSHRPIK3CA
SCHEMBL4083590 0.76 CD44 (0.54) CYP3A4CYP1A2CD44TSHRPIK3CA
SCHEMBL23206118 0.76 PARP1 (0.39) CYP1A2ROCK2ROCK1PRKACAPRKCZ
SCHEMBL18599583 0.76 ROCK2 (0.37) CYP3A4TSHRTDP1KDM4EROCK2
SCHEMBL5663599 0.76 ALDH1A1 (0.38) CYP3A4TSHRTDP1KDM4EROCK2
SCHEMBL5664704 0.76 KDM4E (0.46) LMNACYP1A2TSHRTDP1KDM4E

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 44 patents — showing the first 20. 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-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 — — US disclosed
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) 2023-01-26 — — US disclosed
EP-3988544-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF Guangzhou Ocusun Ophthalmic Biotechnology Co., Ltd. (CN) 2022-04-27 — — EP 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
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2022-02-15 — — US disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 — — US disclosed
CN-1668600-A 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORP (JP) 2005-09-14 — — CN disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 — — EP disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 — — US disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 — — US disclosed
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 — — EP disclosed
EP-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 — — EP disclosed
US-6153608-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2000-11-28 — — US disclosed
CN-1210521-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 1999-03-10 — — CN disclosed
EP-0885888-A1 ISOQUINOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-12-23 — — EP 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 (6 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A CYP3A4 4458/4885LMNA 178/4885CYP1A2 3158/4885
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT CYP3A4 3330/4885LMNA 1820/4885CYP1A2 1966/4885
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT CYP3A4 3330/4885LMNA 1820/4885CYP1A2 1966/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 CYP3A4 348/4885LMNA 2921/4885CYP1A2 464/4885
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF ROCK1, ROCK2, CIT CYP3A4 2124/4885LMNA 1927/4885CYP1A2 1190/4885
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS ROCK1, ROCK2, CIT CYP3A4 3330/4885LMNA 1820/4885CYP1A2 1966/4885

“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.