SCHEMBL197273

SCHEMBL197273

Clc1cncc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PRKCZ Q05513 1/20 0.46
CYP11B2 P19099 7/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP11B1 P15538 5/20 0.44
CYP17A1 P05093 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11471 0.76 IMPDH2 (0.48) CYP1A2KDM4EALDH1A1MEN1GLA
SCHEMBL20873066 0.75 PRKCZ (0.64) CYP1A2PRKCZCYP11B2ADRA2AADRA2B
SCHEMBL282060 0.74 EGFR (0.44) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL28252382 0.73 TDP1 (0.43) CYP2A6CYP1A2KDM4EALDH1A1MEN1
SCHEMBL3805113 0.73 CYP1A2 (0.59) CYP2A6CYP1A2KDM4EALDH1A1GAA
SCHEMBL30070982 0.73 CYP1A2 (0.59) CYP2A6CYP1A2KDM4EALDH1A1GAA
SCHEMBL111247 0.71 PRKCZ (0.46) CYP2A6CYP1A2KDM4EALDH1A1MEN1
SCHEMBL18805059 0.71 CYP11B2 (0.47) CYP2A6KDM4EALDH1A1MAPTTDP1
SCHEMBL422347 0.71 CYP2A6 (0.52) CYP2A6CYP1A2KDM4EALDH1A1MAPT
SCHEMBL998807 0.71 CYP11B2 (0.47) CYP2A6KDM4EALDH1A1MAPTTDP1

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 91 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
CN-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US 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
CN-115286569-B Method for synthesizing fluoro-aza-aromatic compound through C-H bond functionalization 南昌大学 2023-06-27 CN disclosed
CN-115286569-A Method for synthesizing fluoro-aza-arene compound through C-H bond functionalization 南昌大学 2022-11-04 CN disclosed
US-20070179127-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-02 US disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO 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-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN 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 (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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A CYP2A6 3734/4885CYP1A2 3158/4885KDM4E 3484/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 CYP2A6 2572/4885CYP1A2 1727/4885KDM4E 1623/4885
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT CYP2A6 4008/4885CYP1A2 1966/4885KDM4E 566/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 CYP2A6 1608/4885CYP1A2 294/4885KDM4E 3526/4885

“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.