SCHEMBL5354430

SCHEMBL5354430

NC(OC(=O)C(F)(F)F)C1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
MKNK1 Q9BUB5 1/20 0.48
NPY5R Q15761 2/20 0.48
UCHL1 P09936 1/20 0.45
KDR P35968 1/20 0.44
USP30 Q70CQ3 8/20 0.44
OTUD7B Q6GQQ9 2/20 0.43
ACP1 P24666 1/20 0.42
GSTO1 P78417 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
SCD O00767 1/20 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
Trifluoroacetic Acid SCHEMBL5354422 0.80 CNR2 (0.55) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14407987 0.80 CNR2 (0.64) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL5359875 0.80 NPY5R (0.54) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408032 0.77 CNR2 (0.61) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408020 0.77 CNR2 (0.58) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408019 0.76 CNR2 (0.66) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408008 0.76 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408007 0.76 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14408005 0.76 CNR2 (0.62) CNR2MKNK1NPY5RUCHL1KDR
SCHEMBL14415213 0.75 CNR2 (0.69) CNR2MKNK1NPY5RUCHL1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CNR2 3769/4885MKNK1 82/4885NPY5R 1651/4885

“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.