SCHEMBL15033972

SCHEMBL15033972

Cc1nc2c(s1)CN(C(=O)Cc1nc(-c3ccc(F)c(C)c3)cn1-c1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.62
ALDH1A1 P00352 2/20 0.39
SRC P12931 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15033997 0.88 GRM5 (0.69) GRM5ALDH1A1SRCDPP4DPP8
SCHEMBL15033956 0.85 GRM5 (0.56) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033941 0.82 GRM5 (0.54) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033931 0.82 GRM5 (0.62) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033939 0.80 GRM5 (0.70) GRM5ALDH1A1SRCDPP4DPP8
SCHEMBL15033993 0.80 GRM5 (0.51) GRM5ALDH1A1DPP4DPP8DPP9
SCHEMBL15034007 0.79 ALDH1A1 (0.49) GRM5ALDH1A1SRCKDM4EMEN1
SCHEMBL15046450 0.78 ALDH1A1 (0.55) GRM5ALDH1A1SRCKDM4EMEN1
SCHEMBL15034561 0.78 GRM5 (0.67) GRM5KDM4ELMNA
SCHEMBL15001954 0.77 GRM5 (0.63) GRM5SRCDPP4DPP8DPP9

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
EP-2791117-B1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
WO-2013087807-A1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODIULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885ALDH1A1 3660/4885SRC 4087/4885

“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.