SCHEMBL2893486

SCHEMBL2893486

CCn1c(C=O)nnc1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.48
PTK2 Q05397 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5752992 0.89 HDAC2 (0.44) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL20021735 0.78 KMT2A (0.52) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL20025649 0.76 ALDH1A1 (0.52) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL1544338 0.75 KMT2A (0.50) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL2898373 0.73 GAA (0.45) ALDH1A1KMT2AHPGDLMNACYP3A4
SCHEMBL6246323 0.72 SMN1; SMN2 (0.65) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL2893738 0.72 ALDH1A1 (0.49) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL6246318 0.71 KMT2A (0.60) HDAC2PTK2ALDH1A1TP53KMT2A
SCHEMBL25230512 0.67 KDM4E (0.48) ALDH1A1KMT2AHPGDLMNACYP3A4
SCHEMBL22019621 0.67 ALDH1A1 (0.73) HDAC2PTK2ALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 HDAC2 2166/4885PTK2 2764/4885ALDH1A1 2803/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 HDAC2 2124/4885PTK2 2707/4885ALDH1A1 2915/4885

“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.