SCHEMBL4789817

SCHEMBL4789817

Cc1c(C#N)c(N)c(C(=O)O)n1C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 13/20 0.54
GRIA2 P42262 11/20 0.54
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.36
MAPK1 P28482 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
SCHEMBL11277818 0.75 USP2 (0.44) GRIA4GRIA2MEN1KMT2AUSP2
SCHEMBL8289485 0.70 GRIA4 (1.00) GRIA4GRIA2
SCHEMBL4376765 0.70 GRIA4 (0.75) GRIA4GRIA2
SCHEMBL26967870 0.68 GRIA4 (0.43) GRIA4GRIA2ALDH1A1MEN1KMT2A
SCHEMBL4378867 0.64 ALDH1A1 (0.52) GRIA4GRIA2ALDH1A1KMT2AMAPK1
SCHEMBL13295987 0.63 KDM4E (0.40) GRIA4GRIA2ALDH1A1MEN1KMT2A
SCHEMBL29267759 0.63 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL15996308 0.63 GRIA4 (0.82) GRIA4GRIA2
SCHEMBL4372775 0.62 KMT2A (0.50) GRIA4GRIA2ALDH1A1TSHRKMT2A
SCHEMBL9097378 0.62 MELK (0.41) GRIA4ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1991545-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES AstraZeneca AB (SE) 2008-11-19 EP disclosed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP GRIA4 577/4885GRIA2 1035/4885ALDH1A1 937/4885

“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.