SCHEMBL4021274

SCHEMBL4021274

Cc1ccc(C(N)=O)cc1-n1cc(-c2cnn(-c3ccccc3)c2C)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
MAPK14 Q16539 2/20 0.43
SLC9A1 P19634 1/20 0.42
SLC9A2 Q9UBY0 1/20 0.42
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
GPR142 Q7Z601 3/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
PFKFB3 Q16875 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RIPK2 O43353 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RY14 Q15391 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4021282 0.84 NPC1 (0.39) GRM2SLC9A1SLC9A2MAPK1RAB9A
SCHEMBL4013457 0.78 TEK (0.52) GPR142RAB9ANPC1PKMALDH1A1
SCHEMBL9906354 0.77 ALDH1A1 (0.43) GPR142ALDH1A1
SCHEMBL4016845 0.76 BRAF (0.51) MAPK14
SCHEMBL3642234 0.76 MIF (0.51) GPR142
SCHEMBL4017103 0.76 MAPK14 (0.45) MAPK14RAB9ANPC1PKM
SCHEMBL13843757 0.75 PTGDR2 (0.46) RAB9ANPC1PKMALDH1A1
SCHEMBL4033327 0.74 BRAF (0.45) MAPK14
SCHEMBL4017503 0.74 MAPK14 (0.50) MAPK14
SCHEMBL4016376 0.74 TEK (0.52) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 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-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B GRM2 2954/4885MAPK14 515/4885SLC9A1 4275/4885

“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.