SCHEMBL3595995

SCHEMBL3595995

Cc1c(C(Cl)=C(C=O)c2ccnc(Cl)c2)nn(C)c1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.59
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
SLC34A1 Q06495 3/20 0.37

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
SCHEMBL3595993 1.00 GRM5 (0.59) GRM5KDM4AKDM5AKDM4CKDM5B
SCHEMBL3603672 0.75 GRM5 (0.66) GRM5SLC34A1
SCHEMBL23481150 0.69 NOTUM (0.35) GRM5KDM4AKDM5AKDM4CKDM5B
SCHEMBL31466766 0.67 GRM5 (0.55) GRM5SLC34A1
SCHEMBL610120 0.67 GRM5 (0.55) GRM5SLC34A1
SCHEMBL3603486 0.63 GRM5 (0.56) GRM5SLC34A1
SCHEMBL10633305 0.60 LTA4H (0.59) GRM5KDM4AKDM5AKDM4CKDM5B
SCHEMBL10080304 0.60 CES1 (0.55) GRM5KDM4AKDM5AKDM4CKDM5B
SCHEMBL3603902 0.60 GRM5 (0.61) GRM5
SCHEMBL13066526 0.59 SLC34A1 (0.51) GRM5SLC34A1

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-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B GRM5 14/4885KDM4A 2696/4885KDM5A 3527/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B GRM5 14/4885KDM4A 2696/4885KDM5A 3527/4885

“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.