SCHEMBL3579095

SCHEMBL3579095

CNc1ncc(C)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
HCAR3 P49019 1/20 0.37
LDHA P00338 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3577400 0.80 GRM5 (0.56) GRM5HCAR3LDHAKMT2AMEN1
SCHEMBL13346059 0.80 GRM5 (0.37) GRM5HCAR3LDHAKMT2AMEN1
SCHEMBL9348292 0.78 PIM1 (0.49) GRM5HCAR3KMT2AMEN1NPC1
SCHEMBL29432473 0.78 ALDH1A1 (0.41) GRM5KMT2AMEN1KDM4EALDH1A1
SCHEMBL6100470 0.78 ALDH1A1 (0.41) GRM5KMT2AMEN1KDM4EALDH1A1
SCHEMBL2160345 0.77 PDE10A (0.50)
SCHEMBL27479483 0.76 ALDH1A1 (0.40) GRM5KMT2AMEN1KDM4EALDH1A1
SCHEMBL2408636 0.76 KDM4E (0.40) GRM5KMT2AMEN1KDM4EALDH1A1
SCHEMBL23703168 0.76 ATR (0.51) LDHAKDM4EATMGAASMN1; SMN2
SCHEMBL26313007 0.75 ALDH1A1 (0.36) HCAR3KMT2AMEN1KDM4EALDH1A1

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC GRM5 1690/4885HCAR3 990/4885LDHA 949/4885

“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.