SCHEMBL991479

SCHEMBL991479

CC(C)CNc1cc(-c2c(-c3ccccc3)ncn2C2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
APP P05067 2/20 0.40
MAPK14 Q16539 4/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
TTK P33981 2/20 0.36
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
PIK3CA P42336 1/20 0.35
CYP3A4 P08684 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL989412 0.84 MAPK14 (0.41) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL991466 0.71 MAPT (0.46) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL990284 0.70 MAPK14 (0.47) ALDH1A1HTTMAPK14MAPK13MAPK12
SCHEMBL990252 0.69 SPHK1 (0.45) ALDH1A1HTTMAPK14MAPK13MAPK12
SCHEMBL991427 0.68 MAPK14 (0.50) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5997121 0.67 TTK (0.35) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL989748 0.66 MAPT (0.54) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL4837487 0.66 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL4837575 0.66 MAPK14 (0.72) MAPK14MAPK1CYP3A4EGFRCSNK1D
SCHEMBL989247 0.65 MAPT (0.53) MAPTALDH1A1HTTCYP1A2CYP2C9

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 MAPT 2603/4885ALDH1A1 3631/4885HTT 4547/4885

“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.