SCHEMBL5873677

SCHEMBL5873677

NC(=O)c1ccc2nc(N)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.55
BACE1 P56817 10/20 0.52
NCK1 P16333 1/20 0.52
LCK P06239 1/20 0.52
NNMT P40261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NCF1 P14598 4/20 0.47
NOS2 P35228 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL29389588 1.00 PLAU (0.55) PLAUBACE1NCK1LCKNNMT
SCHEMBL5873665 0.87 PLAU (0.57) PLAUBACE1NCK1NCF1NOS2
SCHEMBL2671474 0.85 PLAU (0.55) PLAUBACE1NCK1SMN1; SMN2NCF1
Hydrochloric Acid SCHEMBL4680889 0.84 PLAU (0.54) PLAUBACE1NCK1SMN1; SMN2NCF1
SCHEMBL4403751 0.84 BACE1 (0.55) PLAUBACE1NCK1NCF1NOS2
SCHEMBL4980037 0.84 PLAU (0.54) PLAUBACE1NCK1SMN1; SMN2NCF1
Potassium SCHEMBL4980046 0.84 PLAU (0.54) PLAUBACE1NCK1SMN1; SMN2NCF1
Potassium Ion SCHEMBL3231217 0.82 PLAU (0.52) PLAUBACE1NCK1NCF1NOS2
SCHEMBL19691097 0.81 LCK (0.56) PLAULCKHPGDS
SCHEMBL30395360 0.80 LCK (0.50) PLAULCKHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
CN-114082407-A Synthetic method of high-salinity medium-fluorine-removal adsorbent 江苏海普功能材料有限公司 2022-02-25 CN disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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 (6 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 PLAU 4731/4885BACE1 4278/4885NCK1 1232/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PLAU 4600/4885BACE1 4109/4885NCK1 1469/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 PLAU 4610/4885BACE1 4143/4885NCK1 1441/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 PLAU 4668/4885BACE1 4124/4885NCK1 1246/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PLAU 4589/4885BACE1 4167/4885NCK1 1452/4885
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R PLAU 4780/4885BACE1 1078/4885NCK1 1783/4885

“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.