SCHEMBL15024232

SCHEMBL15024232

Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)nc1-c1ccc(F)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.59
DPP8 Q6V1X1 4/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
DPP4 P27487 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
GRIN2B Q13224 4/20 0.36
CCR1 P32246 1/20 0.35
TP53 P04637 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
SCHEMBL15024332 0.91 DPP8 (0.51) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15024381 0.86 RAB9A (0.47) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15024355 0.86 GRM5 (0.53) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15024268 0.85 GRM5 (0.61) GRM5DPP8HDAC1HDAC2DPP4
SCHEMBL15024401 0.85 TSHR (0.47) GRM5TSHRKMT2AALDH1A1LMNA
SCHEMBL15024283 0.84 TSHR (0.44) GRM5DPP8TSHRKMT2AALDH1A1
SCHEMBL15001945 0.82 GRM5 (0.60) GRM5DPP8HDAC1HDAC2DPP4
SCHEMBL15024260 0.81 GRM5 (0.48) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15024376 0.81 GRM5 (0.48) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15001966 0.81 GRM5 (0.58) GRM5DPP8HDAC1HDAC2DPP4

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
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
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

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 1/4885DPP8 3454/4885HDAC1 1339/4885

“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.