SCHEMBL4931456

SCHEMBL4931456

O=C(OCc1ccccc1)N1CCN(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.54
TGM2 P21980 1/20 0.54
TGM1 P22735 1/20 0.54
ABL1 P00519 2/20 0.48
BRAF P15056 1/20 0.47
KIT P10721 5/20 0.46
SRC P12931 1/20 0.45
MKNK2 Q9HBH9 2/20 0.45
BCR P11274 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 2/20 0.43
ATM Q13315 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
SCHEMBL4937129 0.85 BRAF (0.51) ABL1BRAFKITSRCKDM4E
SCHEMBL4933317 0.83 NR1H2 (0.55) F13A1TGM2TGM1TSHRKDM4E
SCHEMBL4938628 0.79 SRC (0.60) F13A1TGM2TGM1ABL1BRAF
SCHEMBL4929396 0.79 KIT (0.52) ABL1BRAFKITSRCMKNK2
SCHEMBL4933270 0.78 KIT (0.65) ABL1BRAFKITSRCRET
SCHEMBL3182950 0.78 RET (0.63) ABL1BRAFKITSRCMKNK2
SCHEMBL4936336 0.78 CDK2 (0.74) F13A1TGM2TGM1ABL1BRAF
SCHEMBL3166509 0.78 KIT (0.51) ABL1BRAFKITSRCMKNK2
SCHEMBL4929391 0.77 KIT (0.53) ABL1BRAFKITSRCMKNK2
SCHEMBL4939914 0.77 KIT (0.52) ABL1BRAFKITSRCMKNK2

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 3 patents. 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
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA F13A1 4809/4885TGM2 1994/4885TGM1 1383/4885

“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.