SCHEMBL21856683

SCHEMBL21856683

Brc1cc2cn[nH]c2cc1C#CC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
ROCK2 O75116 3/20 0.35
CSNK2A1 P68400 2/20 0.35
DYRK1A Q13627 2/20 0.35
CDC7 O00311 2/20 0.35
MAPK1 P28482 2/20 0.35
ROCK1 Q13464 2/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
CDK1 P06493 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN2 Q16513 1/20 0.35
AURKB Q96GD4 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
SCHEMBL22655739 0.85 AXL (0.36) AXLROCK2CSNK2A1DYRK1AMAPK1
SCHEMBL21900957 0.85 PGK1 (0.38) ROCK2CSNK2A1DYRK1ACDC7MAPK1
SCHEMBL29266690 0.83 AXL (0.40) AXLCSNK2A1DYRK1AMAPK1NOS1
SCHEMBL21901883 0.82 AXL (0.38) AXLCSNK2A1DYRK1ANOS1METAP2
SCHEMBL29536009 0.76 MAOB (0.39) ROCK2MAPK1ROCK1KDM4EMEN1
SCHEMBL22688255 0.76 MAOB (0.39) ROCK2MAPK1ROCK1KDM4EMEN1
SCHEMBL29536029 0.76 CDC7 (0.41) ROCK2CDC7ROCK1
SCHEMBL26321523 0.76 ALDH1A1 (0.38) ROCK2CSNK2A1DYRK1ACDC7MAPK1
SCHEMBL21900948 0.76 CDC7 (0.41) ROCK2CDC7ROCK1
SCHEMBL22768431 0.75 AXL (0.41) AXLCSNK2A1DYRK1ANOS1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096542-B Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2024-09-10 CN claimed
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 US claimed
CN-116234809-A Methods of preparing alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-06-06 CN claimed
CN-114096542-A Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2022-02-25 CN claimed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US claimed
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
CN-114096542-B Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2024-09-10 CN disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID VERTEX PHARMA (US) 2024-01-04 US disclosed
CN-116897157-A Solid forms of 4- (5- (4-fluorophenyl) -6- (tetrahydro-2H-pyran-4-yl) -1, 5-dihydropyrrolo [2,3-F ] indazol-7-yl) benzoic acid 弗特克斯药品有限公司 2023-10-17 CN disclosed
CN-116813623-A Preparation method of pyrrolo [2,3-f ] indazole compound 东南大学 2023-09-29 CN disclosed
CN-113164761-A Modulators of alpha-1 antitrypsin 弗特克斯药品有限公司 2021-07-23 CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 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 (7 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885ROCK2 3159/4885CSNK2A1 1287/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885ROCK2 3159/4885CSNK2A1 1287/4885
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINE1 AXL 4746/4885ROCK2 2757/4885CSNK2A1 2931/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885ROCK2 3159/4885CSNK2A1 1287/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885ROCK2 3159/4885CSNK2A1 1287/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 AXL 4839/4885ROCK2 3044/4885CSNK2A1 2064/4885
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID SERPINA2, SERPINE1, SERPINH1 AXL 4491/4885ROCK2 4108/4885CSNK2A1 1966/4885

“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.