SCHEMBL3020035

SCHEMBL3020035

CNc1cc(-n2ncnc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.59
KDR P35968 16/20 0.59
LYN P07948 15/20 0.59
SRC P12931 15/20 0.59
INSR P06213 13/20 0.59
HCK P08631 13/20 0.59
BRAF P15056 3/20 0.54
TEK Q02763 1/20 0.53

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
SCHEMBL3022247 0.94 LCK (0.53) LCKKDRLYNSRCINSR
SCHEMBL3021652 0.94 POLB (0.59) LCKKDRLYNSRCINSR
SCHEMBL3015708 0.92 LCK (0.51) LCKKDRLYNSRCINSR
SCHEMBL3016887 0.90 LCK (0.49) LCKKDRLYNSRCINSR
SCHEMBL3017721 0.90 KDR (0.56) LCKKDRLYNSRCINSR
SCHEMBL3021009 0.90 BRAF (0.59) BRAF
SCHEMBL3019473 0.89 LCK (0.60) LCKKDRLYNSRCINSR
SCHEMBL3021171 0.89 KDR (0.49) LCKKDRLYNSRCINSR
SCHEMBL3020446 0.88 LCK (0.68) LCKKDRLYNSRCINSR
SCHEMBL3017383 0.88 LCK (0.60) LCKKDRLYNSRCINSR

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 9 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
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
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 LCK 8/4885KDR 182/4885LYN 5/4885

“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.