SCHEMBL990606

SCHEMBL990606

O=[N+]([O-])c1ccc(-c2[nH]c(-c3c(F)cccc3F)nc2-c2ccccc2)cc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
HTR6 P50406 2/20 0.48
MAPK14 Q16539 11/20 0.47
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL989405 0.84 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECYP3A4
SCHEMBL989245 0.75 MAPK14 (0.47) MAPK14CYP3A4CYP2C9
SCHEMBL4063490 0.74 PRKCQ (0.44) MAPK14
SCHEMBL3989220 0.73 MAPK14 (0.52) MAPK14CSNK1DCSNK1EMAPTCYP1A2
SCHEMBL3997933 0.73 MAPK14 (0.51) MAPK14CSNK1DCSNK1E
SCHEMBL989125 0.72 MAPK14 (0.46) MAPK14MAPTCYP1A2CYP2C19NPSR1
SCHEMBL18104347 0.71 APP (0.70) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684854 0.71 APP (0.70) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684866 0.71 APP (0.58) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL989296 0.70 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECYP3A4

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 APP 4620/4885HTR6 4089/4885MAPK14 341/4885

“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.