SCHEMBL15024366

SCHEMBL15024366

Nc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccccc3)nc1-c1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.41
NR1H3 Q13133 2/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 1/20 0.39
DRD2 P14416 1/20 0.38
ENPP2 Q13822 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL15024403 0.92 GRM5 (0.54) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15007065 0.90 GRM5 (0.53) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15024266 0.89 GRM5 (0.72) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15024406 0.84 GRM5 (0.49) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15024462 0.84 GRM5 (0.49) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15024326 0.83 GRM5 (0.46) GRM5RAB9AALDH1A1LMNANPC1
SCHEMBL15024333 0.83 GRM5 (0.64) GRM5KMT2ARAB9AALDH1A1MAPT
SCHEMBL15024271 0.82 GRM5 (0.64) GRM5CYP2C9CYP2C19
SCHEMBL15024269 0.82 GRM5 (0.53) GRM5TSHRKMT2ARAB9AALDH1A1
SCHEMBL15001851 0.81 GRM5 (0.56) GRM5TSHRKMT2ARAB9AALDH1A1

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-2788333-B1 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
WO-2013083741-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885TSHR 971/4885KMT2A 1800/4885

“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.