SCHEMBL19994372

SCHEMBL19994372

O=C1CCCN1c1cccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
ALOX5 P09917 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29464219 1.00 PARP1 (0.48) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL31334775 0.95 PARP1 (0.47) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL19994341 0.95 PARP1 (0.47) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL20687962 0.81 PARP1 (0.49) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23967004 0.80 PARP1 (0.48) PARP1CNR2ALDH1A1CYP1A2CYP3A4
SCHEMBL20153301 0.80 RECQL (0.60) PARP1ALOX5CNR2ALDH1A1CYP1A2
SCHEMBL20889900 0.80 PARP1 (0.45) PARP1CNR2ALDH1A1CYP1A2CYP3A4
SCHEMBL536743 0.80 PARP1 (0.57) PARP1CNR2ALDH1A1CYP1A2CYP3A4
SCHEMBL19994396 0.78 ALOX5 (0.40) PARP1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL20502452 0.78 ALOX5 (0.55) PARP1ALOX5GRIN2DGRIN3BGRIN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
WO-2024131265-A1 COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF 中国科学院合肥物质科学研究院 2024-06-27 WO disclosed
CN-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 CN disclosed
US-11999765-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-11970514-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-04-30 US disclosed
US-11912738-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
CN-117186072-A Compound for inhibiting phosphatidylinositol-3-kinase gamma subtype activity and preparation method and application thereof 安驰达生物医药技术(广州)有限公司 2023-12-08 CN disclosed
US-20230322847-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 US disclosed
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-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP 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-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US 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 (9 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-11970514-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 PARP1 4571/4885ALOX5 1047/4885GRIN2D 117/4885
US-20230322847-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, MC2R, NR3C1 PARP1 4597/4885ALOX5 977/4885GRIN2D 107/4885
US-11912738-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 PARP1 4571/4885ALOX5 1047/4885GRIN2D 117/4885
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-11999765-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 PARP1 4620/4885ALOX5 961/4885GRIN2D 122/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B PARP1 302/4885ALOX5 3173/4885GRIN2D 4729/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PARP1 498/4885ALOX5 1684/4885GRIN2D 4799/4885
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.