SCHEMBL3021171

SCHEMBL3021171

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.49
TEK Q02763 1/20 0.49
LCK P06239 14/20 0.48
LYN P07948 13/20 0.48
SRC P12931 13/20 0.48
HCK P08631 11/20 0.48
INSR P06213 11/20 0.48
BRAF P15056 4/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
RAF1 P04049 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
SCHEMBL3024889 0.90 BRAF (0.47) KDRTEKLCKLYNSRC
SCHEMBL3020035 0.89 LCK (0.59) KDRTEKLCKLYNSRC
SCHEMBL3022247 0.88 LCK (0.53) KDRTEKLCKLYNSRC
SCHEMBL3015708 0.86 LCK (0.51) KDRLCKLYNSRCHCK
SCHEMBL3021652 0.84 POLB (0.59) KDRTEKLCKLYNSRC
SCHEMBL3021009 0.84 BRAF (0.59) BRAFRAF1
SCHEMBL3010099 0.83 BRAF (0.51) KDRLCKLYNSRCHCK
SCHEMBL3020597 0.83 BRAF (0.46) KDRLCKLYNSRCHCK
SCHEMBL3021374 0.83 BRAF (0.62) BRAFRAF1
SCHEMBL3016887 0.83 LCK (0.49) KDRTEKLCKLYNSRC

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 8 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

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 KDR 182/4885TEK 393/4885LCK 8/4885

“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.