SCHEMBL989245

SCHEMBL989245

CC(C)CNc1ccc(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.47
PTGES O14684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL989266 0.85 MAPK14 (0.52) MAPK14CYP3A4
SCHEMBL989296 0.77 MAPK14 (0.52) MAPK14CYP3A4
SCHEMBL3989284 0.75 MAPK14 (0.43) MAPK14PTGESCYP2C9
SCHEMBL990606 0.75 APP (0.50) MAPK14CYP2C9CYP3A4
SCHEMBL3989359 0.74 MAPK14 (0.57) MAPK14PTGESCYP2C9
SCHEMBL3997659 0.72 MAPK14 (0.48) MAPK14CYP3A4
SCHEMBL990149 0.70 MAPK14 (0.64) MAPK14CYP3A4
SCHEMBL8793341 0.68 MAPK14 (0.63) MAPK14CYP2C9CYP3A4
SCHEMBL8791756 0.68 MAPK14 (0.55) MAPK14PTGESCYP2C9CYP3A4
SCHEMBL8793042 0.68 MAPK14 (0.56) MAPK14PTGESCYP2C9CYP3A4

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPK14 341/4885PTGES 3654/4885CYP2C9 3799/4885

“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.