SCHEMBL21046972

SCHEMBL21046972

O=S(=O)(Nc1ccc(C#Cc2cnc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 6/20 0.65
▸ MAP2K7 O14733 2/20 0.65
▸ BRAF P15056 11/20 0.55
▸ KIT P10721 3/20 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
SCHEMBL21046877 0.91 MAP2K4 (0.58) MAP2K4MAP2K7BRAF
SCHEMBL21046930 0.91 MAP2K4 (0.57) MAP2K4MAP2K7BRAFKIT
SCHEMBL21046991 0.87 BRAF (0.59) MAP2K4MAP2K7BRAF
SCHEMBL21046769 0.85 BRAF (0.77) BRAF
SCHEMBL22819386 0.79 MAP2K4 (1.00) MAP2K4MAP2K7
SCHEMBL22374557 0.76 BRAF (0.74) BRAFKIT
SCHEMBL21046814 0.75 BRAF (0.73) BRAFKIT
SCHEMBL19872439 0.73 MAP2K7 (0.42) MAP2K4MAP2K7BRAF
SCHEMBL21047291 0.71 BRAF (0.68) BRAFKIT
SCHEMBL1461049 0.70 MAP2K4 (0.67) MAP2K4MAP2K7

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 MAP2K4 3637/4885MAP2K7 2747/4885BRAF 1618/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I MAP2K4 3637/4885MAP2K7 2747/4885BRAF 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.

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