SCHEMBL15033978

SCHEMBL15033978

O=C(O)Cc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
AGER Q15109 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 3/20 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
SCHEMBL15019885 0.99 GABRA2 (0.42) GABRA2GABRB2MAPTLMNAAGER
SCHEMBL15034001 0.94 MAPT (0.51) GABRA2GABRB2MAPTLMNAAGER
SCHEMBL15033980 0.90 MAPT (0.52) GABRA2GABRB2MAPTLMNAAGER
SCHEMBL15046461 0.87 GABRA2 (0.42) GABRA2GABRB2MAPTLMNAAGER
SCHEMBL15043866 0.87 GABRB2 (0.45) GABRA2GABRB2MAPTLMNAAGER
SCHEMBL15033935 0.87 GRM5 (0.43) GABRA2GABRB2MAPTAGERPTGS1
Lithium Ion SCHEMBL15019886 0.86 GABRB2 (0.41) GABRA2GABRB2MAPTAGERPTGS1
SCHEMBL15033933 0.85 PTGS1 (0.41) GABRA2GABRB2MAPTAGERPTGS1
SCHEMBL15046472 0.83 ABCB1 (0.49) GABRA2GABRB2MAPTLMNAPTGS1
SCHEMBL15020142 0.82 GABRA2 (0.55) GABRA2GABRB2MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 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
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-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
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-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 (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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GABRA2 84/4885GABRB2 86/4885MAPT 271/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 GABRA2 85/4885GABRB2 96/4885MAPT 281/4885

“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.