SCHEMBL2777362

SCHEMBL2777362

NC(=O)c1ccc(CN2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.51
NR1H2 P55055 1/20 0.49
SCN9A Q15858 2/20 0.46
KIT P10721 2/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
SCD O00767 1/20 0.44
FAAH O00519 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL16380700 0.99 DDR1 (0.50) DDR1NR1H2SCN9AKITALDH1A1
SCHEMBL3311056 0.88 NR1H2 (0.52) DDR1NR1H2KITATM
SCHEMBL2707620 0.88 NR1H2 (0.66) DDR1NR1H2KITALDH1A1KDM4E
SCHEMBL2709582 0.88 PDE3B (0.50) DDR1NR1H2SCN9AKITALDH1A1
SCHEMBL2707963 0.88 DDR1 (0.53) DDR1NR1H2KITALDH1A1KDM4E
SCHEMBL16380735 0.88 NR1H2 (0.49) DDR1NR1H2KITALDH1A1KDM4E
SCHEMBL29921818 0.88 PDE3B (0.50) DDR1NR1H2SCN9AKITALDH1A1
SCHEMBL18403122 0.87 DDR1 (0.52) DDR1NR1H2KITALDH1A1KDM4E
SCHEMBL16380771 0.87 NR1H2 (0.51) DDR1NR1H2KITALDH1A1KDM4E
SCHEMBL3020407 0.86 CYP2D6 (0.52) DDR1NR1H2KITALDH1A1KDM4E

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
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF DDR1 578/4885NR1H2 675/4885SCN9A 1687/4885

“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.