SCHEMBL4929396

SCHEMBL4929396

O=C(Nc1ccc(CN2CCC2)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.52
SRC P12931 2/20 0.51
RET P07949 3/20 0.50
KDR P35968 2/20 0.50
ABL1 P00519 3/20 0.49
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
BRAF P15056 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
MKNK1 Q9BUB5 2/20 0.48
BCR P11274 1/20 0.48
EGFR P00533 1/20 0.46

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
SCHEMBL3166509 0.96 KIT (0.51) KITSRCRETKDRABL1
SCHEMBL4933270 0.89 KIT (0.65) KITSRCRETABL1CDK8
SCHEMBL3182950 0.89 RET (0.63) KITSRCRETKDRABL1
SCHEMBL4939914 0.87 KIT (0.52) KITSRCRETKDRABL1
SCHEMBL4929391 0.87 KIT (0.53) KITSRCRETKDRABL1
SCHEMBL27724845 0.86 MKNK2 (0.52) KITSRCRETKDRABL1
SCHEMBL4937157 0.86 KIT (0.52) KITSRCRETKDRABL1
SCHEMBL16620534 0.86 KDM4E (0.48)
SCHEMBL2777943 0.86 KIT (0.57) KITSRCRETKDRABL1
SCHEMBL20922005 0.85 KDM4E (0.56) KITSRCRETKDRABL1

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 KIT 1043/4885SRC 203/4885RET 1/4885

“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.