SCHEMBL21901264

SCHEMBL21901264

CC1(C#Cc2cc3[nH]ncc3cc2Br)COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.43
NOS1 P29475 2/20 0.35
METAP2 P50579 2/20 0.35
DYRK1A Q13627 2/20 0.35
CSNK2A1 P68400 1/20 0.35
CHEK1 O14757 1/20 0.33
TRPA1 O75762 1/20 0.32
MKNK1 Q9BUB5 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FGFR1 P11362 1/20 0.30
DYRK3 O43781 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL22768431 0.88 AXL (0.41) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL21901896 0.85 NOS1 (0.35) AXLNOS1DYRK1ACHEK1TRPA1
SCHEMBL21901262 0.76 CDC7 (0.42) MKNK1
SCHEMBL21901897 0.76 P2RX7 (0.35) L3MBTL1BACE1CYP2D6
SCHEMBL21856805 0.72 AXL (0.49) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL21856683 0.72 AXL (0.40) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL22655895 0.70 AXL (0.54) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL29266690 0.70 AXL (0.40) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL22750011 0.68 AXL (0.41) AXLNOS1METAP2DYRK1ACSNK2A1
SCHEMBL21901883 0.68 AXL (0.38) AXLNOS1METAP2DYRK1ACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP disclosed
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 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
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 (5 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 4198/4885NOS1 2077/4885METAP2 759/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885NOS1 2077/4885METAP2 759/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885NOS1 2077/4885METAP2 759/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 AXL 4198/4885NOS1 2077/4885METAP2 759/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 AXL 4839/4885NOS1 1042/4885METAP2 528/4885

“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.