SCHEMBL4937129

SCHEMBL4937129

O=C(OC(=O)N1CCN(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ABL1 P00519 1/20 0.48
KIT P10721 5/20 0.46
SRC P12931 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAD52 P43351 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RET P07949 3/20 0.44
EGFR P00533 4/20 0.44
NPY2R P49146 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
SCHEMBL27745523 0.91 BRAF (0.51) BRAFALDH1A1KDM4EMEN1KMT2A
SCHEMBL4931456 0.85 F13A1 (0.54) BRAFALDH1A1KDM4EMEN1KMT2A
SCHEMBL4936731 0.83 NR1H2 (0.55) BRAFALDH1A1KDM4EMEN1KMT2A
SCHEMBL4936491 0.79 SRC (0.60) BRAFABL1KITSRCRET
SCHEMBL4929396 0.79 KIT (0.52) BRAFABL1KITSRCRET
SCHEMBL3182950 0.78 RET (0.63) BRAFABL1KITSRCRET
SCHEMBL4933270 0.78 KIT (0.65) BRAFABL1KITSRCRET
SCHEMBL4933929 0.78 ABL1 (0.54) BRAFABL1KITSRCRET
SCHEMBL3166509 0.78 KIT (0.51) BRAFABL1KITSRCNPSR1
SCHEMBL4933269 0.78 KDR (0.75) BRAFABL1KITSRCRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA BRAF 65/4885ALDH1A1 3290/4885KDM4E 882/4885

“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.