SCHEMBL20628385

SCHEMBL20628385

CN1C(=O)c2ccccc2N(C2CCCC2)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 6/20 0.75
▸ AURKA O14965 5/20 0.75
▸ PIK3CG P48736 5/20 0.75
▸ AURKB Q96GD4 5/20 0.75
▸ PIK3CD O00329 4/20 0.75
▸ PIK3C2G O75747 4/20 0.75
▸ LRRK2 Q5S007 4/20 0.75
▸ MAPK7 Q13164 3/20 0.75
▸ PLK1 P53350 1/20 0.61
▸ PLK3 Q9H4B4 1/20 0.61
▸ PLK2 Q9NYY3 1/20 0.61
▸ STK4 Q13043 10/20 0.57
▸ CCNE1 P24864 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ CDK1 P06493 1/20 0.56
▸ PIP5K1C O60331 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ JAK1 P23458 1/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ PIK3CA P42336 1/20 0.55

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
SCHEMBL21938543 0.91 PIK3CD (0.76) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628497 0.88 PIK3CD (0.63) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628384 0.86 PIK3CD (0.67) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL10098763 0.86 PIK3CG (1.00) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL23144757 0.85 LRRK2 (0.58) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628533 0.84 CCNE1 (0.59) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL23144758 0.83 LRRK2 (0.61) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628493 0.82 AURKA (0.80) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628437 0.82 AURKA (0.80) DCLK1AURKAPIK3CGAURKBPIK3CD
SCHEMBL20628513 0.81 LRRK2 (0.57) DCLK1AURKAPIK3CGAURKBPIK3CD

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 DCLK1 796/4885AURKA 950/4885PIK3CG 551/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN DCLK1 796/4885AURKA 950/4885PIK3CG 551/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R DCLK1 1387/4885AURKA 2929/4885PIK3CG 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.

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