SCHEMBL21333552

SCHEMBL21333552

COc1ccc(CN2CCOc3ncc(Br)cc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 6/20 0.51
ALPL P05186 5/20 0.46
PARK7 Q99497 1/20 0.46
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 3/20 0.46
POLB P06746 1/20 0.44
PDE1B Q01064 1/20 0.42

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
SCHEMBL10008883 0.81 GAA (0.48) TNIKPARK7ROCK2ROCK1POLB
SCHEMBL16014355 0.79 TNIK (0.58) TNIKPARK7ROCK2ROCK1POLB
SCHEMBL25380407 0.76 SCN1A (0.49) TNIKALPLROCK2ROCK1
SCHEMBL31069731 0.76 SCN1A (0.49) TNIKALPLROCK2ROCK1
SCHEMBL16373295 0.74 AURKA (0.40) TNIKALPLPOLB
SCHEMBL14136911 0.74 TNIK (0.44) TNIKROCK2ROCK1POLB
SCHEMBL19138438 0.73 ALPL (0.53) TNIKALPLROCK2ROCK1
SCHEMBL15522178 0.73 DGAT1 (0.52)
SCHEMBL8365726 0.73 GAA (0.50) TNIKROCK2ROCK1POLB
SCHEMBL18586068 0.73 GAA (0.51) PARK7POLB

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 TNIK 1970/4885ALPL 4663/4885PARK7 2236/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 TNIK 1970/4885ALPL 4663/4885PARK7 2236/4885

“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.