SCHEMBL21047024

SCHEMBL21047024

CN1CCC(c2n[nH]c3ncc(C#Cc4c(F)ccc(NS(=O)(=O)c5cccc(F)c5)c4F)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.61
▸ MAP3K20 Q9NYL2 13/20 0.59
▸ KIT P10721 1/20 0.58
▸ FRK P42685 1/20 0.58
▸ SIK1 P57059 1/20 0.58
▸ MAP2K5 Q13163 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ SRMS Q9H3Y6 1/20 0.58

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
SCHEMBL21046887 0.93 BRAF (0.68) BRAFMAP3K20KITFRKSIK1
SCHEMBL28075261 0.83 BRAF (0.76) BRAFMAP3K20
SCHEMBL28074717 0.81 MAP3K20 (0.86) BRAFMAP3K20KITFRKSIK1
SCHEMBL21096939 0.79 MAP3K20 (0.41) BRAFMAP3K20KITFRKSIK1
SCHEMBL21047291 0.79 BRAF (0.68) BRAFMAP3K20KITFRKSIK1
SCHEMBL28074716 0.77 MAP3K20 (0.53) BRAFMAP3K20KITFRKSIK1
SCHEMBL21046943 0.77 BRAF (1.00) BRAFMAP3K20KITFRKSIK1
SCHEMBL21046795 0.74 MAP3K20 (0.85) BRAFMAP3K20KITFRKSIK1
SCHEMBL21046814 0.74 BRAF (0.73) BRAFMAP3K20KITFRKSIK1
SCHEMBL28074832 0.74 MAP3K20 (1.00) BRAFMAP3K20KITFRKSIK1

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 1618/4885MAP3K20 814/4885KIT 4717/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I BRAF 1618/4885MAP3K20 814/4885KIT 4717/4885

“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.

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