SCHEMBL30892200

SCHEMBL30892200

CC1(C)OB(c2ccc(C(F)(F)F)c3[nH]ncc23)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
TRPA1 O75762 4/20 0.34
EGFR P00533 1/20 0.32
LIPE Q05469 3/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
BRAF P15056 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
SCHEMBL3496866 1.00 AXL (0.40) AXLTRPA1EGFRLIPETRPM8
SCHEMBL31021494 0.89 AXL (0.43) AXLTRPA1LIPETRPM8TRPV1
SCHEMBL3497188 0.82 LPL (0.34) EGFRBRAF
SCHEMBL3496478 0.80 MAPT (0.35) BRAF
SCHEMBL3496375 0.79 NOS1 (0.36) BRAF
SCHEMBL15186950 0.78 KDM4E (0.43)
SCHEMBL20577550 0.77 KDM4E (0.43) EGFR
SCHEMBL28782096 0.76 AXL (0.50) AXLTRPA1TRPM8TRPV1
SCHEMBL29778034 0.74 MEN1 (0.38) LIPE
SCHEMBL23275872 0.74 MAPT (0.43)

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-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives GRUENENTHAL GMBH (DE) 2024-10-03 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-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 AXL 2399/4885TRPA1 2935/4885EGFR 2471/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 AXL 2187/4885TRPA1 2810/4885EGFR 2435/4885

“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.