SCHEMBL990928

SCHEMBL990928

CC(C)n1cnc2ccc(-c3n[nH]nc3-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
LRRK2 Q5S007 1/20 0.45
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK14 Q16539 7/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
HCAR3 P49019 1/20 0.40
KDM4E B2RXH2 3/20 0.37
FLT3 P36888 1/20 0.37
LMNA P02545 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL989430 0.81 MAPK14 (0.60) ALOX15HSP90AA1MAPK14CYP3A4FLT3
SCHEMBL989502 0.75 MAPK14 (0.47) ALOX15HSP90AA1MAPK14CYP3A4MAPK8
SCHEMBL5697063 0.74 MAPK14 (0.45) LRRK2PRMT5WDR77MAPK14CYP3A4
SCHEMBL16460741 0.71 TGFBR1 (0.41) LRRK2PRMT5WDR77MAPK14KDM4E
SCHEMBL30117440 0.71 TGFBR1 (0.41) LRRK2PRMT5WDR77MAPK14KDM4E
SCHEMBL19553748 0.71 HCAR3 (0.41) LRRK2PRMT5WDR77MAPK14MEN1
SCHEMBL14279371 0.70 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL1027011 0.69 HPGD (0.68) MEN1HPGDKMT2AHSD17B10HCAR3
SCHEMBL989440 0.69 MAPK14 (0.55) ALOX15MAPK14CYP3A4MAPK8MAPK9
SCHEMBL7732282 0.69 RAB9A (0.50) LRRK2MEN1HPGDKMT2AHSD17B10

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 ALOX15 4706/4885LRRK2 580/4885PRMT5 1377/4885

“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.