SCHEMBL989502

SCHEMBL989502

CC(C)n1c(N)nc2ccc(-c3n[nH]nc3-c3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.44
HSP90AA1 P07900 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
NR1I2 O75469 1/20 0.38
EGFR P00533 1/20 0.38
ADRA2A P08913 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL989440 0.83 MAPK14 (0.55) MAPK14CYP3A4ALOX15MAPK8MAPK9
SCHEMBL14279371 0.81 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL989359 0.81 MAPK14 (0.59) MAPK14CYP3A4
SCHEMBL990928 0.75 ALOX15 (0.45) MAPK14CYP3A4ALOX15HSP90AA1MAPK8
SCHEMBL1980314 0.70 HSD17B10 (0.57) SMN1; SMN2
SCHEMBL989430 0.70 MAPK14 (0.60) MAPK14CYP3A4ALOX15HSP90AA1
SCHEMBL11008032 0.69 PI4KB (0.50) SMN1; SMN2
SCHEMBL11015148 0.69 PI4KB (0.47) SMN1; SMN2AAK1
Bromide SCHEMBL1982279 0.69 HSD17B10 (0.56) SMN1; SMN2
SCHEMBL991919 0.69 MAPK14 (0.51) MAPK14CYP3A4MAPK8MAPK9ADORA3

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 341/4885CYP3A4 3973/4885ALOX15 4706/4885

“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.