SCHEMBL17541019

SCHEMBL17541019

OCc1cc(C(F)(F)F)ncn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
CHKA P35790 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.35
GRM2 Q14416 6/20 0.34
NOTUM Q6P988 3/20 0.32
KDR P35968 2/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31

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
SCHEMBL22111962 0.79 CA2 (0.55) CA2CHKALOXL2LOXGRM2
SCHEMBL11943357 0.79 CA2 (0.50) CA2CHKALOXL2LOXGRM2
SCHEMBL27264896 0.77 CA2 (0.68) CA2CHKALOXL2LOXNOTUM
SCHEMBL11326441 0.77 CCR1 (0.36) NOTUM
SCHEMBL24973136 0.76 CA2 (0.47) CA2CHKALOXL2LOX
SCHEMBL23374465 0.76 CA2 (0.47) CA2CHKALOXL2LOXGRM2
SCHEMBL24152409 0.75 CA2 (0.46) CA2CHKALOXL2LOX
SCHEMBL21503637 0.72 CA2 (0.43) CA2CHKALOXL2LOX
SCHEMBL18590 0.71 CA2 (0.56) CA2CHKALOXL2LOXNOTUM
SCHEMBL24974007 0.71 CA2 (0.42) CA2CHKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. 2018-09-11 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
EP-3185865-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-05 EP disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 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 (2 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-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use GRIN2A, GRIN2C, GRIN2B CA2 1223/4885CHKA 2426/4885LOXL2 3901/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B CA2 1223/4885CHKA 2426/4885LOXL2 3901/4885

“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.