SCHEMBL30047103

SCHEMBL30047103

Nc1ncc(C2=CCOCC2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.45
▸ PIK3CD O00329 8/20 0.45
▸ PIK3CB P42338 7/20 0.45
▸ PIK3CG P48736 7/20 0.45
▸ MTOR P42345 2/20 0.42
▸ CYP11B2 P19099 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIK3R1 P27986 4/20 0.39
▸ BACE1 P56817 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL2711268 0.77 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2712621 0.76 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL20242081 0.76 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL22820581 0.76 HTT (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL23092185 0.75 BACE1 (0.42) PIK3CAPIK3CDPIK3CBPIK3CGBACE1
SCHEMBL18248008 0.74 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29551535 0.74 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2712585 0.73 CYP11B2 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL10008830 0.73 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL24156076 0.70 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBPIK3CGCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2025-11-27 — — US disclosed
US-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease ORIGENIS GMBH (DE) 2025-08-12 — — US disclosed
US-20220380374-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2022-12-01 — — US disclosed
US-20220380373-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2022-12-01 — — US 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-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease NUAK1, TYK2, MARK1 PIK3CA 972/4885PIK3CD 1526/4885PIK3CB 1344/4885
US-20220380374-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 PIK3CA 974/4885PIK3CD 1537/4885PIK3CB 1348/4885
US-20220380373-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 PIK3CA 972/4885PIK3CD 1526/4885PIK3CB 1344/4885
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 PIK3CA 972/4885PIK3CD 1526/4885PIK3CB 1344/4885

“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.

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