SCHEMBL21937775

SCHEMBL21937775

Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3ccc(S(C)(=O)=O)cc3)nc1N2C

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.84
▸ PIK3CG P48736 14/20 0.84
▸ PIK3C2G O75747 13/20 0.84
▸ AURKA O14965 10/20 0.84
▸ AURKB Q96GD4 10/20 0.84
▸ STK3 Q13188 1/20 0.65
▸ LRRK2 Q5S007 3/20 0.63
▸ DCLK1 O15075 2/20 0.63
▸ MAPK7 Q13164 1/20 0.63
▸ NUAK1 O60285 2/20 0.63
▸ BRD4 O60885 4/20 0.63
▸ PLK4 O00444 2/20 0.63
▸ AURKC Q9UQB9 2/20 0.63
▸ PIK3CA P42336 3/20 0.61
▸ PIK3CB P42338 2/20 0.61

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
SCHEMBL20628288 0.92 PIK3CG (0.71) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL16065758 0.91 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20628555 0.90 PIK3CG (0.68) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL18371573 0.87 PIK3CG (0.83) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20628540 0.86 PIK3CD (0.74) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457382 0.86 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742678 0.84 PIK3CD (0.82) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457385 0.83 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL21937663 0.83 STK3 (0.64) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20628569 0.83 STK3 (0.64) PIK3CDPIK3CGPIK3C2GAURKAAURKB

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 3 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

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 309/4885PIK3CG 551/4885PIK3C2G 1027/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN PIK3CD 309/4885PIK3CG 551/4885PIK3C2G 1027/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R PIK3CD 2015/4885PIK3CG 2586/4885PIK3C2G 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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