SCHEMBL13388985

SCHEMBL13388985

O=C(O)c1ccc(C#Cc2ccnc(Cl)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
GRM5 P41594 3/20 0.42
CHRM2 P08172 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC16A3 O15427 4/20 0.40
P4HA1 P13674 1/20 0.39
MIF P14174 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13388170 0.77 GRM5 (0.65) FFAR1GRM5CHRM2SIGMAR1SLC16A3
SCHEMBL10020217 0.74 GRM4 (0.64) FFAR1GRM5KDM4EALDH1A1
SCHEMBL27950423 0.72 FFAR1 (0.55) FFAR1GRM5CHRM2SIGMAR1SLC16A3
SCHEMBL13388104 0.71 GRM5 (0.65) GRM5P4HTM
SCHEMBL13388350 0.71 GRM5 (0.65) GRM5CHRM2SIGMAR1SLC16A3P4HA1
SCHEMBL13730442 0.71 P4HTM (0.53) FFAR1GRM5CHRM2SIGMAR1P4HA1
SCHEMBL10020221 0.71 FFAR1 (0.56) FFAR1GRM5KDM4EALDH1A1
SCHEMBL708798 0.71 FFAR1 (0.56) FFAR1GRM5
SCHEMBL16011593 0.71 P4HTM (0.50) GRM5CHRM2SIGMAR1SLC16A3P4HA1
SCHEMBL319105 0.69 KDM4E (0.53) FFAR1P4HTMKDM4EALDH1A1

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-2699547-B1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-8772300-B2 Phenyl or pyridinyl-ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2699547-A1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS F. Hoffmann-La Roche AG (CH) 2014-02-26 EP disclosed
WO-2012143340-A1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-26 WO disclosed
US-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-10-25 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-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES GRM5, GRM1, GRM3 FFAR1 80/4885GRM5 1/4885CHRM2 64/4885

“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.