SCHEMBL21901896

SCHEMBL21901896

CC1(C#Cc2cc3[nH]ncc3cc2Cl)COC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.35
DYRK1A Q13627 2/20 0.35
CHEK1 O14757 1/20 0.33
TRPA1 O75762 3/20 0.32
PIM1 P11309 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.31
AXL P30530 1/20 0.31
PTPN11 Q06124 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 2/20 0.30
DYRK3 O43781 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
SCHEMBL21901264 0.85 AXL (0.43) NOS1DYRK1ACHEK1TRPA1L3MBTL1
SCHEMBL21901262 0.76 CDC7 (0.42)
SCHEMBL22687897 0.76 NOS1 (0.43) NOS1DYRK1ACHEK1TRPA1TRPM8
SCHEMBL21901897 0.73 P2RX7 (0.35) L3MBTL1BACE1CYP2D6
SCHEMBL22768431 0.72 AXL (0.41) NOS1DYRK1ACHEK1TRPA1AXL
SCHEMBL21901166 0.72 NOS1 (0.40) NOS1DYRK1ACHEK1TRPA1TRPM8
SCHEMBL21901154 0.72 NOS1 (0.40) NOS1DYRK1ACHEK1TRPA1TRPM8
SCHEMBL29536197 0.72 NOS1 (0.40) NOS1DYRK1ACHEK1TRPA1TRPM8
SCHEMBL21900957 0.72 PGK1 (0.38) NOS1DYRK1ACHEK1TRPA1PIM1
SCHEMBL24753063 0.70 TRPA1 (0.49) NOS1DYRK1ACHEK1TRPA1TRPM8

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 3 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
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 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 (2 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-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 NOS1 1042/4885DYRK1A 4840/4885CHEK1 4497/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 NOS1 1042/4885DYRK1A 4840/4885CHEK1 4497/4885

“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.