SCHEMBL3010116

SCHEMBL3010116

CNc1cc(-n2ncnc2Nc2cc(C(=O)Nc3cc(OCCN4CCCC4=O)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.48
MAP3K7 O43318 1/20 0.44
MAP4K2 Q12851 1/20 0.44
INSR P06213 3/20 0.43
LCK P06239 3/20 0.43
LYN P07948 3/20 0.43
SRC P12931 3/20 0.43
KDR P35968 3/20 0.43
HCK P08631 2/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL3017474 0.91 BRAF (0.57) BRAFMAP3K7MAP4K2INSRLCK
SCHEMBL3019468 0.86 BRAF (0.58) BRAFINSRLCKLYNSRC
SCHEMBL3018850 0.86 BRAF (0.54) BRAFINSRLCKLYNSRC
SCHEMBL3010076 0.85 BRAF (0.52) BRAFMAP4K2INSRLCKLYN
SCHEMBL3003917 0.81 MAP3K7 (0.65) BRAFMAP3K7MAP4K2INSRLCK
SCHEMBL3583481 0.81 BRAF (0.57) BRAFMAP3K7MAP4K2INSRLCK
SCHEMBL3021652 0.80 POLB (0.59) BRAFINSRLCKLYNSRC
SCHEMBL3021997 0.79 KDR (0.48) BRAFMAP3K7MAP4K2INSRLCK
SCHEMBL3004160 0.79 BRAF (0.58) BRAFMAP3K7MAP4K2INSRLCK
SCHEMBL3022120 0.79 BRAF (0.59) BRAFMAP3K7MAP4K2LYNABL1

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 BRAF 33/4885MAP3K7 105/4885MAP4K2 131/4885

“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.