SCHEMBL20628280

SCHEMBL20628280

CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(=O)(=O)NC4CC4)cc3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 5/20 1.00
STK4 Q13043 7/20 0.74
PIK3CG P48736 6/20 0.74
AURKA O14965 3/20 0.74
AURKB Q96GD4 3/20 0.74
DCLK1 O15075 3/20 0.74
PIP5K1C O60331 1/20 0.74
ABL1 P00519 1/20 0.74
JAK1 P23458 1/20 0.74
TYK2 P29597 1/20 0.74
PIK3CA P42336 1/20 0.74
RIPK4 P57078 1/20 0.74
TAOK1 Q7L7X3 1/20 0.74
ULK2 Q8IYT8 1/20 0.74
PIP4K2C Q8TBX8 1/20 0.74
MAP3K3 Q99759 1/20 0.74
TAOK3 Q9H2K8 1/20 0.74
STK26 Q9P289 1/20 0.74
TAOK2 Q9UL54 1/20 0.74
MAP3K2 Q9Y2U5 1/20 0.74

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
SCHEMBL20628565 0.86 STK3 (1.00) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20609709 0.85 STK4 (1.00) STK3STK4PIK3CGAURKAAURKB
SCHEMBL29366935 0.85 STK4 (1.00) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20628267 0.84 PIK3CD (0.73) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20628281 0.83 STK3 (0.71) STK3STK4PIK3CGAURKAAURKB
SCHEMBL21938546 0.83 STK3 (0.76) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20628478 0.83 STK3 (0.71) STK3STK4PIK3CGAURKAAURKB
SCHEMBL24687666 0.82 STK3 (0.73) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20628544 0.82 STK3 (0.81) STK3STK4PIK3CGAURKAAURKB
SCHEMBL20628488 0.82 STK3 (0.79) STK3STK4PIK3CGAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Anhui Newstar Pharmaceutical Development Co., Ltd. (CN) 2022-09-08 US disclosed
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2021-04-13 US disclosed
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 US disclosed
EP-3424929-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2019-01-09 EP 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-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN STK3 14/4885STK4 15/4885PIK3CG 551/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN STK3 14/4885STK4 15/4885PIK3CG 551/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R STK3 9/4885STK4 11/4885PIK3CG 2586/4885

“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.