SCHEMBL19994469

SCHEMBL19994469

Cc1nc(N)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N(C(C)C(F)(F)F)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.61
PIK3CA P42336 15/20 0.61
PIK3CB P42338 14/20 0.61
PIK3CG P48736 7/20 0.61
PIK3C2B O00750 1/20 0.53
PIK3C2G O75747 1/20 0.53
PIK3R1 P27986 1/20 0.53
KCNH2 Q12809 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53

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
SCHEMBL19994466 1.00 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2B
SCHEMBL22204235 0.90 PIK3CG (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL22204237 0.90 PIK3CG (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL22204275 0.89 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22204276 0.89 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22204218 0.88 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22204217 0.88 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19995195 0.85 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2B
SCHEMBL19995196 0.85 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2B
SCHEMBL22463804 0.85 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246130-A1 DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA ASTRAZENECA AB (SE) 2021-08-12 US disclosed
US-10961236-B2 (S)-2-(1-cyclopropylethyl)-5-(4-methyl-2-((6-(2-oxopyrrolidin-1-yl)pyridin-2-yl)amino) thiazol-5-yl)-7-(methylsulfonyl)isoindolin-1-one as a phosphatidylinositol 3-kinase inhibitor ASTRAZENECA AB (SE) 2021-03-30 US disclosed
US-20200308164-A1 5-[2-(PYRIDIN-2-YLAMINO)-1,3-THIAZOL-5-YL]-2,3-DIHYDRO-1 H-ISOINDOL-1 -ONE DERIVATIVES AND THEIR USE AS DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA ASTRAZENECA AB (SE) 2020-10-01 US disclosed
EP-3515910-B1 5-[2-(PYRIDIN-2-YLAMINO)-1,3-THIAZOL-5-YL]-2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND THEIR USE AS DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA ASTRAZENECA AB (SE) 2020-07-15 EP disclosed
EP-3515910-A1 5-[2-(PYRIDIN-2-YLAMINO)-1,3-THIAZOL-5-YL]-2,3-DIHYDRO-1 H-ISOINDOL-1 -ONE DERIVATIVES AND THEIR USE AS DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA&GAMMA Astrazeneca AB (SE) 2019-07-31 EP disclosed
WO-2018055040-A1 5-[2-(PYRIDIN-2-YLAMINO)-1,3-THIAZOL-5-YL]-2,3-DIHYDRO-1 H-ISOINDOL-1 -ONE DERIVATIVES AND THEIR USE AS DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA ASTRAZENECA AB (SE) 2018-03-29 WO 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-20200308164-A1 5-[2-(PYRIDIN-2-YLAMINO)-1,3-THIAZOL-5-YL]-2,3-DIHYDRO-1 H-ISOINDOL-1 -ONE DERIVATIVES AND THEIR USE AS DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA PIK3CD, PIK3CG, PDPK1 PIK3CD 1/4885PIK3CA 6/4885PIK3CB 5/4885
US-10961236-B2 (S)-2-(1-cyclopropylethyl)-5-(4-methyl-2-((6-(2-oxopyrrolidin-1-yl)pyridin-2-yl)amino) thiazol-5-yl)-7-(methylsulfonyl)isoindolin-1-one as a phosphatidylinositol 3-kinase inhibitor PIK3CD, PIK3CB, PIK3CA PIK3CD 1/4885PIK3CA 3/4885PIK3CB 2/4885
US-20210246130-A1 DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA PIK3CD, PIK3CG, PRKCG PIK3CD 1/4885PIK3CA 11/4885PIK3CB 8/4885

“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.