SCHEMBL827684

SCHEMBL827684

CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4ccc(Cl)c(C(C)(C)N)c4)c3)c(C#N)c2s1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.63
KDR P35968 14/20 0.63
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL823612 0.93 BRAF (0.68) BRAFKDRALDH1A1
SCHEMBL11995672 0.89 BRAF (0.49) BRAFKDRMAPT
SCHEMBL827228 0.88 BRAF (0.72) BRAFKDR
SCHEMBL10265934 0.87 BRAF (0.56) BRAFKDRALDH1A1
SCHEMBL823666 0.85 BRAF (0.83) BRAFKDR
SCHEMBL823603 0.85 BRAF (0.68) BRAFKDRALDH1A1
SCHEMBL823608 0.83 BRAF (0.65) BRAFKDR
SCHEMBL823667 0.82 BRAF (0.61) BRAFKDRALDH1A1
SCHEMBL826668 0.80 BRAF (0.63) BRAFKDRALDH1A1KDM4EUSP2
SCHEMBL823535 0.80 BRAF (0.71) BRAFKDRALDH1A1MAPTMAPK1

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-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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 (1 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-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885ALDH1A1 1236/4885

“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.