SCHEMBL989430

SCHEMBL989430

CC(C)Cn1cnc2ccc(-c3n[nH]nc3-c3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.60
POLB P06746 1/20 0.47
APAF1 O14727 1/20 0.42
ALOX15 P16050 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TEK Q02763 1/20 0.39
HSP90AA1 P07900 1/20 0.39
BRD4 O60885 1/20 0.39
CYP3A4 P08684 1/20 0.39
FLT3 P36888 1/20 0.37
AGER Q15109 1/20 0.37
PDE2A O00408 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37

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
SCHEMBL990928 0.81 ALOX15 (0.45) MAPK14ALOX15HSP90AA1CYP3A4FLT3
SCHEMBL989440 0.76 MAPK14 (0.55) MAPK14ALOX15CYP3A4
SCHEMBL1528714 0.76 MAPK14 (0.48) MAPK14POLBAPAF1CHRNB2CHRNA4
SCHEMBL990284 0.74 MAPK14 (0.47) MAPK14POLBAPAF1CHRNB2CHRNA4
SCHEMBL10602253 0.73 CYP11B1 (0.53) MAPK14F2F10PRSS1CYP11B1
SCHEMBL29745161 0.73 POLB (0.52) MAPK14POLBAPAF1CHRNB2CHRNA4
SCHEMBL1528391 0.72 POLB (0.49) MAPK14POLBAPAF1CHRNB2CHRNA4
SCHEMBL1026002 0.72 APAF1 (0.67) POLBAPAF1CYP11B1CYP11B2AGER
SCHEMBL1528216 0.71 POLB (0.45) MAPK14POLBCHRNB2CHRNA4BRD4
SCHEMBL12767952 0.71 POLB (0.66) MAPK14POLBAPAF1CHRNB2CHRNA4

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 MAPK14 341/4885POLB 1551/4885APAF1 1000/4885

“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.