SCHEMBL4936731

SCHEMBL4936731

Nc1ccc(CN2CCN(C(=O)OC(=O)c3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
KDM4E B2RXH2 7/20 0.53
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
BRAF P15056 1/20 0.42
MGLL Q99685 2/20 0.41

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 0.85 BRAF (0.51) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL4933317 0.83 NR1H2 (0.55) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4937129 0.83 BRAF (0.51) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL2708121 0.82 NR1H2 (0.67) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL545916 0.81 NR1H2 (0.62) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23068663 0.79 NR1H2 (0.70) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11889015 0.73 NR1H2 (0.61) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL545052 0.73 NR1H2 (0.76) NR1H2ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL4933173 0.73 NR1H2 (0.76) NR1H2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL24192448 0.72 NR1H2 (0.71) NR1H2ALDH1A1MEN1KMT2AKDM4E

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 4 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
CN-101291917-A Diaryl urea derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2008-10-22 CN 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 4001/4885ALDH1A1 3290/4885MEN1 1829/4885

“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.