SCHEMBL21938547

SCHEMBL21938547

CN1C(=O)c2ccccc2Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.70
▸ PIK3C2G O75747 6/20 0.70
▸ PIK3CG P48736 6/20 0.70
▸ AURKA O14965 6/20 0.70
▸ AURKB Q96GD4 6/20 0.70
▸ DCLK1 O15075 4/20 0.70
▸ LRRK2 Q5S007 2/20 0.70
▸ MAPK7 Q13164 1/20 0.55
▸ JAK3 P52333 7/20 0.51
▸ JAK1 P23458 5/20 0.51
▸ CDK1 P06493 7/20 0.50
▸ CDK2 P24941 6/20 0.50
▸ CDK5 Q00535 5/20 0.50
▸ CCNE1 P24864 4/20 0.50
▸ CCNE2 O96020 3/20 0.50
▸ SYK P43405 3/20 0.50
▸ PDPK1 O15530 2/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ ROCK2 O75116 2/20 0.50
▸ PRKD3 O94806 2/20 0.50

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
SCHEMBL20628525 0.89 AURKA (0.69) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL17465864 0.83 PIK3CG (1.00) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL21938134 0.81 DCLK1 (0.68) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20628275 0.79 PIK3CD (0.81) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20628428 0.79 PIK3CG (0.81) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20628387 0.79 PIK3CD (0.75) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL19457412 0.77 PIK3CD (1.00) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL21938543 0.76 PIK3CD (0.76) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20628545 0.76 PIK3CG (0.74) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20628443 0.75 PIK3CD (0.69) PIK3CDPIK3C2GPIK3CGAURKAAURKB

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 309/4885PIK3C2G 1027/4885PIK3CG 551/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN PIK3CD 309/4885PIK3C2G 1027/4885PIK3CG 551/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R PIK3CD 2015/4885PIK3C2G 3871/4885PIK3CG 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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