SCHEMBL26046366

SCHEMBL26046366

CCc1nccn1CCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
TSHR P16473 1/20 0.39
MCL1 Q07820 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 2/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALPG P10696 1/20 0.36
PLAA Q9Y263 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL27673042 0.89 MCL1 (0.39) LTA4HTSHRMCL1MAOAMAOB
SCHEMBL27653065 0.87 AGTR1 (0.47) KCNH2HSP90AA1
SCHEMBL23043763 0.86 LTA4H (0.40) LTA4HTSHRMCL1MAOAMAOB
SCHEMBL23043559 0.86 LTA4H (0.40) LTA4HTSHRMCL1KCNH2MAPT
SCHEMBL27652966 0.84 MEN1 (0.38) LTA4HTSHRMCL1LMNA
SCHEMBL23053810 0.82 ALDH1A1 (0.46) LTA4HTSHRMCL1CYP1A2CYP2D6
SCHEMBL23053628 0.81 LTA4H (0.35) LTA4HTSHRMCL1MAOAMAOB
SCHEMBL16695024 0.81 TBXAS1 (0.49) MAPTLMNA
SCHEMBL26196843 0.80 TDP1 (0.43) LTA4HTSHRMCL1MAOAMAOB
SCHEMBL13587988 0.80 TLR8 (0.39) TSHRKCNH2ALPGPLAA

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-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS LTA4H 3456/4885TSHR 4359/4885MCL1 162/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS LTA4H 1516/4885TSHR 3382/4885MCL1 1824/4885

“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.