SCHEMBL21351074

SCHEMBL21351074

O=C1NCC2(CC2)c2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.50
▸ PARP1 P09874 2/20 0.50
▸ TDP2 O95551 3/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ CMA1 P23946 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ S100A4 P26447 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL24510632 0.94 PARP10 (0.47) PARP10PARP1TDP2PARP11TGM2
SCHEMBL24509680 0.94 PARP10 (0.47) PARP10PARP1TDP2PARP11TGM2
SCHEMBL24510668 0.92 PARP10 (0.46) PARP10PARP1TDP2PARP11TGM2
SCHEMBL12077241 0.87 TDP2 (0.46) PARP10PARP1TDP2PARP11TGM2
SCHEMBL24510107 0.84 PARP10 (0.49) PARP10PARP1TDP2PARP11TGM2
SCHEMBL24457320 0.81 TDP2 (0.44) PARP10PARP1TDP2PARP11TGM2
SCHEMBL24457118 0.81 TDP2 (0.44) PARP10PARP1TDP2PARP11TGM2
SCHEMBL23865208 0.80 PARP10 (0.50) PARP10PARP1TDP2PARP11TGM2
SCHEMBL22855207 0.80 CDC7 (0.38) PARP1TDP2S100A4CA9TDP1
SCHEMBL21332980 0.80 PARP10 (0.50) PARP10PARP1TDP2PARP11TGM2

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
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 — — US disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 — — EP disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 — — EP disclosed
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2023-02-28 — — US disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 — — WO disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 — — WO disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 — — US disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 — — US disclosed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 — — 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 (3 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-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 PARP10 854/4885PARP1 2956/4885TDP2 1674/4885
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PRMT5, PRMT1, PRMT3 PARP10 120/4885PARP1 351/4885TDP2 2520/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 PARP10 120/4885PARP1 351/4885TDP2 2520/4885

“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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