SCHEMBL4239383

SCHEMBL4239383

Nc1cccc(Nc2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.57
THRB P10828 1/20 0.53
BRAF P15056 10/20 0.52
MAPK14 Q16539 8/20 0.52
TNNI3K Q59H18 8/20 0.52
EGFR P00533 3/20 0.52
ERBB2 P04626 1/20 0.52
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
RAF1 P04049 1/20 0.48
TTBK1 Q5TCY1 1/20 0.47

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
SCHEMBL4239042 0.84 THRB (0.68) THRBTNNI3KEGFR
SCHEMBL4239378 0.84 ABL1 (0.69) KDRBRAFMAPK14TNNI3KABL1
SCHEMBL12262588 0.82 EGFR (0.51) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL13777941 0.81 KDR (0.81) KDRBRAFEGFR
SCHEMBL12262247 0.79 KDR (0.51) KDRTHRBBRAFMAPK14TNNI3K
SCHEMBL12262244 0.79 MAP2K7 (0.66) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL691170 0.79 EGFR (0.58) KDREGFRERBB2ABL1BCR
SCHEMBL4244096 0.78 L3MBTL1 (0.57) KDRBRAFMAPK14TNNI3KTTBK1
SCHEMBL1387447 0.76 THRB (0.80) THRBTNNI3KEGFRABL1BCR
SCHEMBL691710 0.75 MAOB (0.54) KDRTNNI3KEGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 KDR 116/4885THRB 461/4885BRAF 44/4885

“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.