SCHEMBL578670

SCHEMBL578670

C[Si](C)(C)C#Cc1ccc(C=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA6 Q16445 2/20 0.32
GABRA4 P48169 2/20 0.32
CCR1 P32246 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18810357 0.81 MAPT (0.38) KCNJ1CCR1CYP1A2CYP2E1CYP2A6
SCHEMBL12750931 0.81 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24216547 0.77 KCNJ1 (0.34) KCNJ1CCR1CYP1A2CYP2E1CYP2A6
SCHEMBL28536669 0.76 FFAR1 (0.47)
SCHEMBL30046254 0.76 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306099 0.75 GRM5 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1914210 0.73 GRM5 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31167295 0.73 FGFR4 (0.43) KCNJ1CCR1
SCHEMBL701214 0.73 CYP2A6 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL454403 0.73 ALDH1A1 (0.42) KCNJ1CCR1CYP2A6

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312348-B2 RET inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-05-27 US disclosed
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 CN disclosed
US-20220347299-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF LightOx Limited (GB) 2022-11-03 US disclosed
EP-3921373-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF Lightox Limited (GB) 2021-12-15 EP disclosed
WO-2021009506-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF LightOx Limited (GB) 2021-01-21 WO disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO 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 (7 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-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KCNJ1 2402/4885GABRA1 3957/4885GABRG2 3228/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 KCNJ1 2108/4885GABRA1 3868/4885GABRG2 3118/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KCNJ1 2402/4885GABRA1 3957/4885GABRG2 3228/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KCNJ1 2402/4885GABRA1 3957/4885GABRG2 3228/4885
US-20220347299-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF SON, DNER, CASR KCNJ1 1718/4885GABRA1 810/4885GABRG2 2124/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 KCNJ1 3800/4885GABRA1 2843/4885GABRG2 3884/4885
US-12312348-B2 RET inhibitors, pharmaceutical compositions and uses thereof RET, SLC10A2, REL KCNJ1 4537/4885GABRA1 1239/4885GABRG2 1576/4885

“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.