SCHEMBL14033133

SCHEMBL14033133

CC1(C)OB(c2cccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
PDGFRB P09619 3/20 0.57
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
GRIK1 P39086 1/20 0.49
BRAF P15056 1/20 0.48
IDH1 O75874 1/20 0.46
RIPK1 Q13546 3/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
MTOR P42345 1/20 0.46
TEK Q02763 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL31212719 0.88 KDR (0.61) KDRPDGFRBCA12CA1CA2
SCHEMBL57825 0.88 KDR (0.61) KDRPDGFRBCA12CA1CA2
SCHEMBL12491436 0.87 MTOR (0.57) KDRPDGFRBCA12CA1CA2
SCHEMBL57891 0.86 KDR (0.55) KDRPDGFRBCA12CA1CA2
SCHEMBL59228 0.85 KDR (0.53) KDRPDGFRBGRIK1BRAFIDH1
SCHEMBL5674759 0.85 EPHX2 (0.48) KDRPDGFRBCA12CA1CA2
SCHEMBL59016 0.84 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL59004 0.84 KDR (0.55) KDRPDGFRBCA12CA1CA2
SCHEMBL59878 0.84 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL58719 0.83 KDR (0.53) KDRPDGFRBCA12CA1CA2

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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors BRAF, RAF1, ARAF KDR 423/4885PDGFRB 630/4885CA12 4851/4885

“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.