SCHEMBL4065944

SCHEMBL4065944

O=[N+]([O-])c1[c]nc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GUSB P08236 1/20 0.40
PTGES O14684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK13 O15264 2/20 0.40
RAF1 P04049 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK9 P45984 1/20 0.39
BRAF P15056 1/20 0.36
TEK Q02763 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL4530046 0.91 PTGES (0.40) MAPK14KMT2AMEN1MAPTCYP1A2
SCHEMBL3993149 0.89 MAPK14 (0.43) MAPK14GUSBMAPK13RAF1MAPK12
SCHEMBL4071589 0.87 MAPK14 (0.46) MAPK14KMT2AMEN1MAPTCYP1A2
SCHEMBL4558663 0.82 MAPK14 (0.46) MAPK14GUSBMAPK13RAF1MAPK12
SCHEMBL3993152 0.80 MAPK14 (0.45) MAPK14KMT2AMEN1MAPTCYP1A2
SCHEMBL3989218 0.76 MAPK14 (0.48) MAPK14
SCHEMBL11633700 0.75 MAPK14 (0.57) MAPK14KMT2AMEN1MAPTCYP1A2
SCHEMBL4067180 0.73 MAPK14 (0.49) MAPK14KMT2AMEN1MAPTCYP1A2
SCHEMBL3989294 0.72 MAPK14 (0.48) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5613054 0.72 MAPK14 (0.74) MAPK14MAPK13RAF1MAPK12MAPK11

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-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAPK14 174/4885KMT2A 989/4885MEN1 1255/4885

“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.