SCHEMBL4530046

SCHEMBL4530046

O=[N+]([O-])c1[c]nc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK14 Q16539 10/20 0.40
KMT2A Q03164 2/20 0.39
TEK Q02763 1/20 0.38
GUSB P08236 1/20 0.38
MAPK13 O15264 4/20 0.37
RAF1 P04049 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4065944 0.91 MAPK14 (0.43) PTGESCYP2C9MAPK14KMT2ATEK
SCHEMBL3993149 0.80 MAPK14 (0.43) MAPK14TEKGUSBMAPK13RAF1
SCHEMBL4071589 0.78 MAPK14 (0.46) MAPK14KMT2AMAPK13RAF1MAPK12
SCHEMBL11633700 0.75 MAPK14 (0.57) CYP2C9MAPK14KMT2ATEKMAPK13
SCHEMBL3993152 0.73 MAPK14 (0.45) PTGESCYP2C9MAPK14KMT2AMAPK13
SCHEMBL3989284 0.73 MAPK14 (0.43) PTGESCYP2C9MAPK14TEKMAPK13
SCHEMBL4558663 0.73 MAPK14 (0.46) MAPK14TEKGUSBMAPK13RAF1
SCHEMBL5613105 0.72 MAPK13 (0.59) MAPK14TEKMAPK13RAF1MAPK12
SCHEMBL4413641 0.70 MAPK14 (0.70) MAPK14TEKMAPK13RAF1MAPK12
SCHEMBL8479656 0.69 PTGES (0.48) PTGESCYP2C9MAPK14KMT2ATEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PTGES 3473/4885CYP2C9 3008/4885MAPK14 174/4885

“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.