SCHEMBL17832166

SCHEMBL17832166

COCc1nnc2c(C(F)(F)F)c(Cl)ccn12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
GRM2 Q14416 19/20 0.43
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL740989 0.88 GRM2 (0.50) GRM2CYP2C19KCNH2GRM3
SCHEMBL4562607 0.85 GRM2 (0.51) GRM2CYP2C19KCNH2GRM3
SCHEMBL16557111 0.83 GRM2 (0.46) GRM2CYP2C19KCNH2GRM3
Cyclopropane SCHEMBL750832 0.82 GRM2 (0.51) GRM2CYP2C19KCNH2GRM3
SCHEMBL17832167 0.80 GRM2 (0.40) GRM2CYP2C19
SCHEMBL738601 0.78 GRM2 (0.62) GRM2CYP2C19KCNH2GRM3
SCHEMBL4560578 0.77 NOTUM (0.39) NOTUMGRM2CYP2C19
SCHEMBL750831 0.77 GRM2 (0.50) GRM2CYP2C19KCNH2GRM3
SCHEMBL17904259 0.76 GRM2 (0.60) GRM2CYP2C19KCNH2GRM3
SCHEMBL6924779 0.75 GRM2 (0.41) GRM2CYP2C19KCNH2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590131-B2 1,2,4-triazolo[4,3-a]pyridine compounds and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
EP-3230286-B1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-20 EP disclosed
US-20190047999-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (JP) 2019-02-14 US disclosed
US-20170362222-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG SA (ES) 2017-12-21 US disclosed
US-20170362222-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG SA (ES) 2017-12-21 US disclosed
WO-2016092002-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-16 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 (3 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-10590131-B2 1,2,4-triazolo[4,3-a]pyridine compounds and their use as positive allosteric modulators of mGluR2 receptors GRM2, GRM1, GRM3 NOTUM 4485/4885GRM2 1/4885CYP2C19 3526/4885
US-20190047999-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 NOTUM 4485/4885GRM2 1/4885CYP2C19 3526/4885
US-20170362222-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 NOTUM 4485/4885GRM2 1/4885CYP2C19 3526/4885

“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.