SCHEMBL20628279

SCHEMBL20628279

CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc21

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.74
▸ AURKA O14965 3/20 0.74
▸ PIK3C2G O75747 3/20 0.74
▸ PIK3CG P48736 3/20 0.74
▸ AURKB Q96GD4 3/20 0.74
▸ DCLK1 O15075 3/20 0.74
▸ LRRK2 Q5S007 2/20 0.74
▸ MAPK7 Q13164 1/20 0.74
▸ TNK2 Q07912 15/20 0.68
▸ BRD4 O60885 1/20 0.56
▸ BRDT Q58F21 1/20 0.56

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
SCHEMBL20628387 0.90 PIK3CD (0.75) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL20628558 0.87 DCLK1 (0.73) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL20628380 0.85 TNK2 (0.75) PIK3CDPIK3C2GPIK3CGLRRK2MAPK7
SCHEMBL10098763 0.85 PIK3CG (1.00) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL20628533 0.83 CCNE1 (0.59) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL16065860 0.82 TNK2 (0.76) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL16065775 0.81 TNK2 (1.00) LRRK2MAPK7TNK2
SCHEMBL20094177 0.79 PIK3CG (0.80) PIK3CDAURKAPIK3C2GPIK3CGAURKB
SCHEMBL16065780 0.78 TNK2 (1.00) DCLK1LRRK2MAPK7TNK2
SCHEMBL16065800 0.78 TNK2 (0.62) LRRK2MAPK7TNK2

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 PIK3CD 309/4885AURKA 950/4885PIK3C2G 1027/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN PIK3CD 309/4885AURKA 950/4885PIK3C2G 1027/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R PIK3CD 2015/4885AURKA 2929/4885PIK3C2G 3871/4885

“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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