SCHEMBL533904

SCHEMBL533904

N#CCc1cccnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 1/20 0.45
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CSNK2A1 P68400 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CDC25B P30305 1/20 0.32
S1PR4 O95977 1/20 0.32
DPP4 P27487 1/20 0.32
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL29992809 1.00 CYP11B1 (0.45) CYP11B1CYP11B2TRIM24TRIM33ALDH1A1
SCHEMBL3668845 0.78 ALDH1A1 (0.39) CYP11B1ALDH1A1HPGDMAPTMEN1
SCHEMBL31288450 0.77
SCHEMBL9383289 0.77
SCHEMBL3596542 0.76 ALDH1A1 (0.38) CYP11B1ALDH1A1HPGDMAPTMEN1
SCHEMBL20244713 0.76 CYP11B2 (0.41) CYP11B1CYP11B2ALDH1A1HPGDMAPT
SCHEMBL31565019 0.76 BACE1 (0.42) CYP11B1ALDH1A1HPGDMAPTMEN1
SCHEMBL30748563 0.76 CYP11B1 (0.53) CYP11B1ALDH1A1HPGDMAPTMEN1
SCHEMBL580243 0.76 KDM1A (0.39) CYP11B1CYP11B2ALDH1A1HPGDMAPT
SCHEMBL1543531 0.76 CYP11B1 (0.53) CYP11B1ALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2025-11-27 US disclosed
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
EP-4538274-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2025-04-16 EP disclosed
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
CN-118344387-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2024-07-16 CN disclosed
WO-2023237085-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF 贝达药业股份有限公司 2023-12-14 WO disclosed
CN-116003321-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-25 CN disclosed
CN-115969853-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-18 CN disclosed
CN-115721648-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-03-03 CN disclosed
CN-112174935-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-06 CN disclosed
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
CN-102612520-A Spiropiperidine compounds as orl-1 receptor antagonists LILLY CO ELI 2012-07-25 CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF STK11, STK35, STK10 CYP11B1 622/4885CYP11B2 723/4885TRIM24 2338/4885
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ CYP11B1 1462/4885CYP11B2 1789/4885TRIM24 2244/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP11B1 503/4885CYP11B2 396/4885TRIM24 3456/4885
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 CYP11B1 444/4885CYP11B2 325/4885TRIM24 4514/4885

“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.