SCHEMBL19994341

SCHEMBL19994341

O=C1CCCCN1c1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
ALOX5 P09917 2/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL31334775 1.00 PARP1 (0.47) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL19994372 0.95 PARP1 (0.48) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL29464219 0.95 PARP1 (0.48) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL25364537 0.82 PARP1 (0.48) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31334907 0.77 PARP1 (0.44) PARP1PIM1PIM3PIM2CNR2
SCHEMBL19994396 0.77 ALOX5 (0.40) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL20687962 0.77 PARP1 (0.49) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20502452 0.76 ALOX5 (0.55) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL30087931 0.76 ALOX5 (0.55) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL25360946 0.76 PARP1 (0.44) PARP1PIM1PIM3PIM2CNR2

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 PARP1 1325/4885ALOX5 2551/4885GRIN2D 1917/4885
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 PARP1 1151/4885ALOX5 4091/4885GRIN2D 1205/4885
US-20210246130-A1 DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA PIK3CD, PIK3CG, PRKCG PARP1 1189/4885ALOX5 3158/4885GRIN2D 2015/4885

“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.