SCHEMBL989748

SCHEMBL989748

CC(C)CNc1cc(-n2ccnc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP2C19 P33261 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
SIRT6 Q8N6T7 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 2/20 0.43
APP P05067 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR6 P50406 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL4830332 0.83 KDR (0.41) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6212901 0.83 KDR (0.41) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL988469 0.82 MAPK9 (0.45) MAPK9MAPK10KDR
SCHEMBL17743800 0.71 SMN1; SMN2 (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15082923 0.71 MAPT (0.61) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28799465 0.69 KAT2B (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1842199 0.69 ALDH1A1 (0.68) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL990669 0.69 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6210942 0.68 HPGD (0.38) MAPTALDH1A1HTTNPSR1MAPK1
SCHEMBL4840833 0.68 GAA (0.38) MAPTALDH1A1NPSR1MAPK1SMN1; SMN2

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 2603/4885CYP1A2 3740/4885CYP2C9 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.