SCHEMBL8242596

SCHEMBL8242596

CN(C)c1ncnc(O)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
LRRK2 Q5S007 4/20 0.36
ALDH1A1 P00352 5/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK1 O14757 2/20 0.34
AURKA O14965 2/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL8237080 0.82 MAPK13 (0.32) CYP1A2CYP3A4NPSR1KDM4ELMNA
SCHEMBL28221737 0.79 KDM4E (0.37) KDM4ELMNALRRK2ALDH1A1L3MBTL1
SCHEMBL8242647 0.77 HTT (0.41) HTTCYP1A2CYP3A4NPSR1KDM4E
SCHEMBL13829723 0.77 LRRK2 (0.50) HTTCYP1A2CYP3A4NPSR1KDM4E
SCHEMBL6719246 0.74 PIK3CG (0.33) KDM4ELRRK2ALDH1A1CDK2GAA
SCHEMBL8237323 0.69 KCNMA1 (0.33) CYP3A4KDM4EALDH1A1HPGDGAA
SCHEMBL12957026 0.69 LRRK2 (0.43) HTTKDM4ELRRK2CDK2
SCHEMBL8243678 0.69 ALDH1A1 (0.41) HTTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL8242638 0.68 ALDH1A1 (0.53) HTTCYP1A2CYP3A4NPSR1KDM4E
SCHEMBL8237075 0.67 MAPK8 (0.39) KDM4EALDH1A1HPGDHSD17B10CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1966220-B1 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORP (US) 2011-01-26 EP disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 EP disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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 (3 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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 HTT 374/4885CYP1A2 2877/4885CYP3A4 2775/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 HTT 374/4885CYP1A2 2877/4885CYP3A4 2775/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 HTT 374/4885CYP1A2 2877/4885CYP3A4 2775/4885

“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.