SCHEMBL4917112

SCHEMBL4917112

CCN(CC)CCn1ncc2c(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.47
ABL1 P00519 2/20 0.46
LCK P06239 3/20 0.46
KDR P35968 4/20 0.46
SRC P12931 3/20 0.46
INSR P06213 2/20 0.46
LYN P07948 2/20 0.46
HCK P08631 2/20 0.46
RET P07949 1/20 0.45
EGFR P00533 2/20 0.45
MAPK14 Q16539 2/20 0.45
BTK Q06187 1/20 0.44
CSF1R P07333 1/20 0.44
KIT P10721 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43

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
SCHEMBL4697939 0.94 BRAF (0.54) BRAFABL1LCKKDRSRC
SCHEMBL4699063 0.92 BRAF (0.55) BRAFABL1LCKKDRSRC
SCHEMBL4697113 0.86 POLB (0.59) BRAFABL1LCKKDRSRC
SCHEMBL4917626 0.85 BRAF (0.58) BRAFABL1KDRBTKCSF1R
SCHEMBL4787068 0.82 BRAF (0.57) BRAFABL1KDRBTKCSF1R
SCHEMBL4696070 0.79 BRAF (0.57) BRAFCSF1RKIT
SCHEMBL4697666 0.79 PIP4K2A (0.53) BRAFKDREGFRMAPK14
SCHEMBL4697700 0.79 BRAF (0.63) BRAFABL1LCKKDRSRC
SCHEMBL4696782 0.79 BRAF (0.57) BRAFCSF1RKIT
SCHEMBL4697821 0.79 BRAF (0.62) BRAFLCKKDRSRCINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US claimed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 BRAF 42/4885ABL1 30/4885LCK 35/4885

“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.