SCHEMBL827952

SCHEMBL827952

CN(C)c1c(Oc2cccc(NC(=O)c3cccc(C(C)(C)N)c3)c2)ccc2nc(NC(=O)C3CC3)sc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.68
BRAF P15056 16/20 0.68
PDGFRB P09619 3/20 0.47
KIT P10721 2/20 0.47
FLT1 P17948 2/20 0.47
AURKA O14965 1/20 0.47
RIPK3 Q9Y572 3/20 0.43
RIPK1 Q13546 2/20 0.43
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
RAF1 P04049 1/20 0.42
PDGFA P04085 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL823675 0.91 BRAF (0.82) KDRBRAFPDGFRBKITFLT1
SCHEMBL10268735 0.90 KDR (0.70) KDRBRAFPDGFRBKITFLT1
SCHEMBL10264784 0.89 KDR (0.69) KDRBRAFPDGFRBKITFLT1
SCHEMBL10265243 0.89 KDR (0.84) KDRBRAFPDGFRBKITFLT1
SCHEMBL10265849 0.89 KDR (0.84) KDRBRAFPDGFRBKITFLT1
SCHEMBL827729 0.88 KDR (0.84) KDRBRAFPDGFRBKITFLT1
SCHEMBL827315 0.87 BRAF (0.88) KDRBRAFPDGFRBKITFLT1
SCHEMBL2340871 0.82 KDR (0.60) KDRBRAFPDGFRBKITFLT1
SCHEMBL823627 0.82 BRAF (0.84) KDRBRAFPDGFRBKITFLT1
SCHEMBL15139585 0.81 BRAF (0.85) KDRBRAFPDGFRBKITFLT1

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 KDR 1130/4885BRAF 1/4885PDGFRB 2808/4885

“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.