SCHEMBL4929495

SCHEMBL4929495

CN1CCC(COc2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
SSTR4 P31391 4/20 0.46
CTSS P25774 2/20 0.44
RBP4 P02753 5/20 0.42
TTR P02766 4/20 0.42
SSTR1 P30872 2/20 0.42
BRAF P15056 4/20 0.41
HPGD P15428 1/20 0.41
RAF1 P04049 2/20 0.41
ARAF P10398 2/20 0.41
CTSK P43235 1/20 0.41
SLC2A1 P11166 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL11565480 0.88 HPGD (0.46) NR1H2CTSSRBP4TTRHPGD
SCHEMBL13419711 0.83 TLR9 (0.43)
SCHEMBL444815 0.82 NR1H2 (0.39) NR1H2RBP4TTR
SCHEMBL23373227 0.81 SSTR1 (0.56) SSTR4RBP4TTRSSTR1
SCHEMBL446531 0.81 RBP4 (0.41) RBP4
SCHEMBL272940 0.80 SYK (0.49) NR1H2BRAF
SCHEMBL21644468 0.80 PDPK1 (0.48)
SCHEMBL6313905 0.80 KDM4E (0.51)
SCHEMBL4937786 0.80 ACHE (0.49) SSTR4CTSSRBP4TTRBRAF
SCHEMBL24192366 0.79 UTS2R (0.47) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801584-B Novel aryl amide Raf kinase and its preparation method and application 中国药科大学 2019-03-05 CN disclosed
CN-105801584-A Novel aromatic amide Raf kinase inhibitors and preparation method and application thereof 中国药科大学 2016-07-27 CN disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
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 NR1H2 4001/4885SSTR4 3262/4885CTSS 3969/4885

“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.