SCHEMBL989194

SCHEMBL989194

CC(C)Nc1cc(-c2[nH]nnc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
APP P05067 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HCAR3 P49019 1/20 0.39
ABCB1 P08183 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC1 P33527 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR6 P50406 2/20 0.37
POLB P06746 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL989125 0.81 MAPK14 (0.46) MAPTCYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL989883 0.80 HDAC1 (0.37) MAPTALDH1A1HPGDSMN1; SMN2LRRK2
SCHEMBL5985861 0.73 MAPK14 (0.46) MAPTCYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL22364261 0.73 MAPT (0.50) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL12730350 0.70 HCAR3 (0.61) HCAR3ABCB1ABCC1RXFP1POLB
SCHEMBL990761 0.68 HDAC1 (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL2975856 0.68 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30135470 0.68 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL103504 0.67 HCAR3 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30274042 0.67 HCAR3 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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 2603/4885APP 4620/4885CYP1A2 3740/4885

“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.