SCHEMBL21047044

SCHEMBL21047044

Nc1ncccc1C#Cc1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.62
SLC40A1 Q9NP59 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.46
GLO1 Q04760 1/20 0.46

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
SCHEMBL21096442 0.86 BRAF (0.56) BRAFCYP3A4CYP2C9MAP3K20
SCHEMBL21046856 0.85 BRAF (0.70) BRAFMAP3K20
SCHEMBL21046931 0.85 BRAF (0.57) BRAFCYP3A4CYP2C9MAP3K20
SCHEMBL21046888 0.84 BRAF (0.68) BRAFMAP3K20
SCHEMBL21046838 0.84 BRAF (0.70) BRAFMAP3K20
SCHEMBL21047001 0.83 BRAF (0.67) BRAFMAP3K20
SCHEMBL21046790 0.82 BRAF (0.60) BRAFSLC40A1MAP3K20GLO1
SCHEMBL21046897 0.81 BRAF (0.70) BRAFCYP3A4CYP2C9MAP3K20
SCHEMBL21047095 0.80 BRAF (0.69) BRAFMAP3K20
SCHEMBL28075141 0.80 BRAF (0.68) BRAFMAP3K20

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 BRAF 1618/4885SLC40A1 1390/4885CYP3A4 4156/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I BRAF 1618/4885SLC40A1 1390/4885CYP3A4 4156/4885

“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.