SCHEMBL24006376

SCHEMBL24006376

COC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(NC(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.45
HPGD P15428 6/20 0.43
MAPK1 P28482 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL10343530 0.86 TLR8 (0.58) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10345106 0.82 TLR8 (0.48) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10343412 0.81 TLR8 (0.49) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10343179 0.81 TLR8 (0.51) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10325503 0.80 TLR8 (0.56) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10343180 0.79 TLR8 (0.49) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL10325898 0.79 TLR8 (0.57) TLR8HPGDMAPK1TLR7POLB
SCHEMBL10345362 0.79 TLR8 (0.47) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL18297269 0.78 TLR8 (0.49) TLR8HPGDMAPK1TLR7KDM4E
SCHEMBL15499091 0.78 TLR8 (0.58) TLR8HPGDMAPK1TLR7MEN1

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-20210347911-A1 ANTI-HER2 COMBINATIONS FOR TREATING TUMORS BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2021-11-11 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-20210347911-A1 ANTI-HER2 COMBINATIONS FOR TREATING TUMORS ERBB2, EGFR, ERBB3 TLR8 900/4885HPGD 1850/4885MAPK1 3528/4885

“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.