SCHEMBL21901883

SCHEMBL21901883

Brc1cc2cn[nH]c2cc1C#CC1CC2CCC(C1)O2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
NOS1 P29475 2/20 0.33
METAP2 P50579 2/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHEK1 O14757 1/20 0.32
TRPA1 O75762 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
SCHEMBL21856683 0.82 AXL (0.40) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL22655739 0.79 AXL (0.36) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL29266690 0.79 AXL (0.40) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL21901866 0.77 CDC7 (0.40)
SCHEMBL21856805 0.68 AXL (0.49) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL21901264 0.68 AXL (0.43) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL21900957 0.68 PGK1 (0.38) NOS1CSNK2A1DYRK1ACHEK1TRPA1
SCHEMBL22655895 0.66 AXL (0.54) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL22768431 0.66 AXL (0.41) AXLNOS1METAP2CSNK2A1DYRK1A
SCHEMBL23887929 0.64 PGK1 (0.33) NOS1DYRK1ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 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 (1 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-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.