SCHEMBL990046

SCHEMBL990046

CC(=O)Nc1nc2ccc(-c3c(-c4ccccc4)ncn3C)cc2n1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.45
EGFR P00533 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPK14 Q16539 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNF P01375 1/20 0.42
TNIK Q9UKE5 1/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MEN1 O00255 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
SCHEMBL989496 0.81 MAPK14 (0.57) MAPK14TNIK
SCHEMBL990654 0.81 MAPK14 (0.55) CYP1A2POLBEGFRHTTMAPK14
SCHEMBL989407 0.76 CYP1A2 (0.41) KDM4ECYP1A2CYP2C9CYP2C19POLB
SCHEMBL990878 0.73 MAPK14 (0.68) EGFRMAPK14TNIKMAPK1NR3C2
SCHEMBL990057 0.73 MAPK14 (0.67) EGFRMAPK14TNIKMAPK1NR3C2
SCHEMBL5772677 0.69 MAPK14 (0.83) EGFRMAPK14MAPK1
SCHEMBL990252 0.67 SPHK1 (0.45) EGFRLMNAHTTMAPK14SMN1; SMN2
SCHEMBL991427 0.66 MAPK14 (0.50) EGFRMAPK14SMN1; SMN2TNIKALDH1A1
SCHEMBL1009513 0.64 NSD3 (0.83) LMNAMAPK14TNIKNSD3
SCHEMBL5351831 0.64 CYP1A2 (0.75) KDM4ECYP1A2CYP2C9CYP2C19POLB

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 2 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

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 KDM4E 900/4885CYP1A2 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.