SCHEMBL3020745

SCHEMBL3020745

CNc1cc(-n2ncnc2Nc2cc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)ncn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.48
KDR P35968 13/20 0.46
MAPK14 Q16539 10/20 0.46
TNNI3K Q59H18 9/20 0.46
RAF1 P04049 4/20 0.46
MAPK3 P27361 3/20 0.46
INSR P06213 3/20 0.43
LCK P06239 3/20 0.43
LYN P07948 3/20 0.43
SRC P12931 3/20 0.43
HCK P08631 2/20 0.43
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL3013648 0.91 KDR (0.46) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL13267842 0.91 RAF1 (0.45) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3010259 0.90 BRAF (0.60) BRAFKDRMAPK14RAF1MAPK3
SCHEMBL3017721 0.89 KDR (0.56) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3016479 0.88 KDR (0.46) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL13267928 0.86 BRAF (0.51) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3010053 0.84 BRAF (0.49) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3021374 0.83 BRAF (0.62) BRAFRAF1
SCHEMBL3020035 0.83 LCK (0.59) BRAFKDRINSRLCKLYN
SCHEMBL3021170 0.82 BRAF (0.49) BRAFKDRMAPK14TNNI3K

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-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US claimed
EP-2170867-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2010-04-07 EP claimed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 WO claimed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
US-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2010-07-22 US disclosed
EP-2170867-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2010-04-07 EP disclosed
WO-2008157131-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 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-20100184765-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN BRAF 33/4885KDR 182/4885MAPK14 603/4885

“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.