SCHEMBL4780

SCHEMBL4780

O=C1OCCN1c1cccc(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
IDH1 O75874 9/20 0.43
TYK2 P29597 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PIM1 P11309 4/20 0.40
TNKS O95271 1/20 0.38
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL31334558 0.91 ALOX5 (0.43) ALOX5IDH1TYK2GRIN2DGRIN3B
SCHEMBL19994425 0.91 ALOX5 (0.43) ALOX5IDH1TYK2GRIN2DGRIN3B
SCHEMBL31262446 0.82 TYK2 (0.45) IDH1TYK2GRIN2DGRIN3BGRIN1
SCHEMBL20689588 0.82 TYK2 (0.45) IDH1TYK2GRIN2DGRIN3BGRIN1
SCHEMBL23967033 0.81 HTR3E (0.45) IDH1TYK2PIM1TNKSMAP4K1
SCHEMBL20909898 0.81 RECQL (0.50) ALOX5IDH1TYK2PIM1TNKS
SCHEMBL20890070 0.80 IDH1 (0.48) IDH1TYK2PIM1MAP4K1
SCHEMBL20889875 0.78 IDH1 (0.44) IDH1TYK2PIM1TNKSMAP4K1
SCHEMBL19994364 0.78 MAP4K1 (0.43) ALOX5TYK2GRIN2DGRIN3BGRIN1
SCHEMBL30165667 0.78 MAP4K1 (0.43) ALOX5TYK2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
WO-2021224818-A1 ISOINDOLONE COMPOUNDS AS HPK1 INHIBITORS PFIZER INC. (US) 2021-11-11 WO disclosed
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP 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-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
WO-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 WO 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
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (4 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 ALOX5 2551/4885IDH1 2390/4885TYK2 1140/4885
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALOX5 167/4885IDH1 4841/4885TYK2 2071/4885
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 ALOX5 4091/4885IDH1 1445/4885TYK2 373/4885
US-20210246130-A1 DUAL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE DELTA & GAMMA PIK3CD, PIK3CG, PRKCG ALOX5 3158/4885IDH1 3355/4885TYK2 1149/4885

“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.