SCHEMBL29344778

SCHEMBL29344778

CCOC(=O)Cc1cc(COC)ccc1OCc1c2cc(-c3ccc4ccnc(N)c4c3)ccc2nn1C1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
AHR P35869 1/20 0.32
ATM Q13315 2/20 0.32
ATR Q13535 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
HPGD P15428 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TNF P01375 1/20 0.31
MAP4K4 O95819 1/20 0.31
SYK P43405 1/20 0.31
EGFR P00533 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
SCHEMBL29121653 0.90 SRC (0.41) SRCKDM4EALDH1A1MAPTMEN1
SCHEMBL29345235 0.89 KDM4E (0.33) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29122749 0.88 SRC (0.40) SRCKDM4EALDH1A1MAPTMEN1
SCHEMBL29344953 0.87 KDM4E (0.32) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29344854 0.86 MTOR (0.31) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29345220 0.86 CFTR (0.35) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29345447 0.85 EGFR (0.34) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29346514 0.85 CFD (0.34) SRCATMEGFRCFD
SCHEMBL29122548 0.83 KDM4E (0.35) SRCKDM4EALDH1A1MAPTMEN1
SCHEMBL29122992 0.82 ALDH1A1 (0.40) SRCKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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 (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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 SRC 3403/4885KDM4E 851/4885ALDH1A1 1532/4885

“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.