SCHEMBL3284334

SCHEMBL3284334

N#Cc1cccc(COc2cccc(Oc3ccnc(Cl)n3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
GRM5 P41594 5/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MAP4K4 O95819 1/20 0.42
CYP19A1 P11511 1/20 0.42
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 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
SCHEMBL3277603 0.89 SMPD1 (0.48) MAOBMAOAGRM5CYP11B1CYP11B2
SCHEMBL7071599 0.81 MAP4K4 (0.45) GRM5FFAR1FFAR4MAP4K4CYP19A1
SCHEMBL4597808 0.80 F2 (0.50)
SCHEMBL3278168 0.77 F2 (0.60)
SCHEMBL7071621 0.77 GRM5 (0.43) GRM5MAP4K4
SCHEMBL1248693 0.75 MAOB (0.66) MAOBMAOAGRM5MRGPRX4CYP4F2
SCHEMBL4374899 0.74 PLAAT3 (0.52) MAOBMAOAALOX5
SCHEMBL15474234 0.74 MAOB (0.56) MAOBMAOAGRM5MRGPRX4CYP4F2
SCHEMBL15472335 0.74 FFAR1 (0.53) MAOBMAOAGRM5MRGPRX4CYP4F2
SCHEMBL3278076 0.74 F2 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700605-B2 2-cyano-pyrimidines and-triazines as cysteine protease inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors FLOHR STEFANIE 2008-09-04 US disclosed
EP-1907368-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009715-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 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-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors USP2, UCHL3, UCHL5 MAOB 924/4885MAOA 1356/4885GRM5 4370/4885

“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.