SCHEMBL2192891

SCHEMBL2192891

CN(c1cccnc1)c1ccnc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.45
CHEK1 O14757 2/20 0.40
KCNA5 P22460 1/20 0.39
MAP3K8 P41279 1/20 0.37
CYP19A1 P11511 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
XDH P47989 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP11B2 P19099 1/20 0.34

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
SCHEMBL3409401 0.77 KCNA5 (0.49) GRM5KCNA5
SCHEMBL22551997 0.76 CHRM5 (0.46) XDHABCG2
SCHEMBL29907491 0.76 CHRM5 (0.46) XDHABCG2
Hydrochloric Acid SCHEMBL4024971 0.75 KCNA5 (0.47) GRM5KCNA5
SCHEMBL2198354 0.72 KDM4E (0.60) GRM5KCNA5KDM4C
SCHEMBL5075470 0.71 KCNA5 (0.50) GRM5KCNA5CYP11B2
SCHEMBL19462352 0.71 MAPT (0.38) CHEK1XDHABCG2
SCHEMBL13367476 0.71 KDM4C (0.44) GRM5KCNA5KDM4C
SCHEMBL6732495 0.70 ALDH1A1 (0.53) GRM5KCNA5CYP19A1CYP11B2
SCHEMBL30297896 0.70 CYP11B2 (0.54) CHEK1CYP19A1XDHABCG2CYP11B2

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-2477629-B1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME UNIV VANDERBILT (US) 2016-08-03 EP disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
WO-2011035186-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 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-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885CHEK1 4126/4885KCNA5 314/4885

“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.