SCHEMBL4017535

SCHEMBL4017535

Cc1ccc(N)cc1-n1cc(-c2cccnc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.51
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
TEK Q02763 2/20 0.46
CYP2A6 P11509 3/20 0.43
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
TLR8 Q9NR97 1/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDR P35968 2/20 0.41
BRAF P15056 5/20 0.41
EPHB4 P54760 1/20 0.40

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
SCHEMBL3642234 0.84 MIF (0.51) MIFABL1BCRMKNK1MKNK2
SCHEMBL4032187 0.83 MIF (0.52) MIFABL1BCRMKNK1MKNK2
SCHEMBL29625998 0.80 CYP19A1 (0.53) MIFABL1BCRBRAFALDH1A1
SCHEMBL29084551 0.80 CYP19A1 (0.53) MIFABL1BCRBRAFALDH1A1
SCHEMBL4014066 0.80 CYP1B1 (0.47) MKNK1MKNK2CYP2C9BRAFCYP3A4
SCHEMBL24414041 0.77 ABL1 (0.53) ABL1BCRMEN1PSIP1AXL
SCHEMBL15132417 0.75 BRAF (0.58) BRAF
SCHEMBL4037031 0.75 MIF (0.51) MIFCYP2A6MKNK1MKNK2CYP2E1
SCHEMBL15883329 0.72 MIF (0.61) MIFFLT3GSK3BBACE1
SCHEMBL12398710 0.72 FLT3 (0.39) ABL1BCRFLT3GSK3BBRAF

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 MIF 103/4885ABL1 1827/4885BCR 460/4885

“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.