SCHEMBL3228513

SCHEMBL3228513

Brc1ccc(C2(N3CCOCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
MGLL Q99685 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.39
AKR1C3 P42330 1/20 0.39
PHGDH O43175 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2C Q14957 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
SCHEMBL1141340 0.82 GRIN1 (0.55) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL25053839 0.82 GRIN1 (0.44) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL8351064 0.81 GRIN1 (0.40) MGLLAKR1C3GRIN1GRIN2AGRIN2B
SCHEMBL11948142 0.79 GRIN1 (0.36) POLBGRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL18580036 0.78 MMP2 (0.48) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL19869969 0.78 ALDH1A1 (0.44) HSD11B1POLBGRIN1GRIN2AGRIN2B
SCHEMBL24762646 0.78 HSD11B1 (0.39) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL24186416 0.77 HRH3 (0.40) MGLLGRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL24186413 0.77 HRH3 (0.36) MGLLGRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL31525326 0.77 GRIN1 (0.64) POLBAKR1C3GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228828-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT AND PREVENTION OF VIRAL DISEASES MERCK PATENT GMBH (DE) 2025-11-06 WO disclosed
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2025-10-16 US disclosed
CN-119546604-A Pyrido [3,2-D ] pyrimidines as HPK1 inhibitors 默克专利有限公司 2025-02-28 CN disclosed
EP-4507789-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-02-19 EP disclosed
WO-2023201185-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
EP-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
US-7893049-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-22 US disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081802-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (2 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-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS PDXK, PPIP5K2, IP6K1 HSD11B1 1999/4885MGLL 4440/4885CYP1A1 1815/4885
US-20080081802-A1 Thiazolyl-Dihydro-Indazole MKI67, CCNT1, CCNA1 HSD11B1 303/4885MGLL 4539/4885CYP1A1 46/4885

“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.