SCHEMBL21333673

SCHEMBL21333673

CC1Cc2ccc(Br)cc2C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
PARP10 Q53GL7 2/20 0.50
ADRA2A P08913 2/20 0.50
PNMT P11086 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
PARP1 P09874 1/20 0.50
TDP2 O95551 2/20 0.43
PBRM1 Q86U86 1/20 0.43
CDC7 O00311 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP11 Q9NR21 1/20 0.39
TGM2 P21980 1/20 0.39
CES1 P23141 1/20 0.39
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL30285537 1.00 TSHR (0.60) TSHRPARP10ADRA2APNMTADRA2B
SCHEMBL2170999 0.87 TSHR (0.60) TSHRPARP10ADRA2APNMTADRA2B
SCHEMBL3308170 0.87 TSHR (0.60) TSHRPARP10ADRA2APNMTADRA2B
SCHEMBL21470711 0.83 TSHR (0.60) TSHRTDP2PBRM1CDC7MKNK1
SCHEMBL30697867 0.77 PNMT (0.62) ADRA2APNMTADRA2BADRA2CCMA1
SCHEMBL793093 0.76 TSHR (0.55) TSHRPARP10PNMTPARP1TDP2
SCHEMBL6448571 0.75 TSHR (1.00) TSHRPARP10PARP1TDP2MKNK1
SCHEMBL12203700 0.75 TSHR (1.00) TSHRPARP10PARP1TDP2MKNK1
SCHEMBL8247179 0.75 PNMT (0.57) TSHRADRA2APNMTADRA2BADRA2C
SCHEMBL20288981 0.75 PBRM1 (0.51) TSHRPARP10ADRA2APNMTADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN 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
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 EP 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
CN-111825656-A Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2020-10-27 CN 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
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 (2 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-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PRMT5, PRMT1, PRMT3 TSHR 1536/4885PARP10 120/4885ADRA2A 4570/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 TSHR 1536/4885PARP10 120/4885ADRA2A 4570/4885

“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.