SCHEMBL21046971

SCHEMBL21046971

O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1cncc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 5/20 0.80
BRAF P15056 16/20 0.77

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
SCHEMBL21046937 0.92 BRAF (0.81) MAP3K20BRAF
SCHEMBL21046852 0.92 MAP3K20 (0.84) MAP3K20BRAF
SCHEMBL29683373 0.92 MAP3K20 (0.84) MAP3K20BRAF
SCHEMBL21046936 0.90 BRAF (0.76) MAP3K20BRAF
SCHEMBL21047337 0.89 MAP3K20 (1.00) MAP3K20BRAF
SCHEMBL21048164 0.88 MAP3K20 (0.81) MAP3K20BRAF
SCHEMBL21046724 0.88 BRAF (0.80) MAP3K20BRAF
SCHEMBL21047210 0.87 BRAF (1.00) MAP3K20BRAF
SCHEMBL21046977 0.87 BRAF (0.79) MAP3K20BRAF
SCHEMBL21047190 0.87 MAP3K20 (0.80) MAP3K20BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 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-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I MAP3K20 814/4885BRAF 1618/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I MAP3K20 814/4885BRAF 1618/4885

“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.