SCHEMBL3829558

SCHEMBL3829558

CCc1cccc(NC(=O)c2ccc(C)c(Nc3ncncc3-c3cc(NC)ncn3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.46
TEK Q02763 5/20 0.46
BRAF P15056 7/20 0.44
MAPK14 Q16539 3/20 0.43
LCK P06239 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CDK9 P50750 1/20 0.41
RAF1 P04049 1/20 0.40

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
SCHEMBL3829988 0.86 BRAF (0.49) KDRTEKBRAFMAPK14LCK
SCHEMBL3825709 0.85 KDR (0.55) KDRTEKBRAFMAPK14LCK
SCHEMBL13897820 0.82 KDR (0.49) KDRTEKBRAFMAPK14LCK
SCHEMBL3823782 0.82 KDR (0.59) KDRTEKBRAFMAPK14LCK
SCHEMBL3826844 0.80 KDR (0.47) KDRTEKBRAFMAPK14LCK
SCHEMBL3829881 0.79 BRAF (0.57) KDRTEKBRAFMAPK14LCK
SCHEMBL3821579 0.78 KDR (0.51) KDRTEKBRAFMAPK14LCK
SCHEMBL3822495 0.77 BRAF (0.49) KDRTEKBRAFMAPK14LCK
SCHEMBL3829784 0.77 BRAF (0.47) KDRTEKBRAFMAPK14LCK
SCHEMBL3826996 0.77 KDR (0.49) KDRTEKBRAFMAPK14LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US claimed
EP-1981870-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-22 EP claimed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO claimed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN KDR 95/4885TEK 375/4885BRAF 28/4885

“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.