SCHEMBL29340141

SCHEMBL29340141

CCOC(=O)Cc1ccccc1OCc1c2cc(-c3ccnc(C(=N)N)c3OC)ccc2nn1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.35
TBXAS1 P24557 1/20 0.34
EGFR P00533 6/20 0.34
ERBB2 P04626 1/20 0.34
IGF1R P08069 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ICMT O60725 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
AHR P35869 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL29121988 0.93 TBXAS1 (0.33) CFDTBXAS1EGFRERBB2IGF1R
SCHEMBL29343491 0.92 ICMT (0.33) EGFRERBB2IGF1RICMTBTK
SCHEMBL29339674 0.92 CFD (0.36) CFDEGFRICMTBTKMAP4K4
SCHEMBL29121983 0.88 TBXAS1 (0.34) CFDTBXAS1EGFRERBB2IGF1R
SCHEMBL29343488 0.85 EGFR (0.30) EGFRALDH1A1LMNABTK
SCHEMBL29122561 0.84 MAPT (0.32) CFDEGFRALDH1A1MAPTICMT
SCHEMBL29340137 0.83 CFD (0.42) CFDTBXAS1EGFRERBB2IGF1R
SCHEMBL29122414 0.83 CFD (0.38) CFDTBXAS1EGFRERBB2IGF1R
SCHEMBL29122501 0.82 EGFR (0.38) CFDTBXAS1EGFRERBB2IGF1R
SCHEMBL29122354 0.82 CFD (0.38) CFDTBXAS1EGFRERBB2IGF1R

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 CFD 3529/4885TBXAS1 2084/4885EGFR 2168/4885

“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.