SCHEMBL989488

SCHEMBL989488

C/N=C\c1ccc2nc(N)n(CC(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ERBB2 P04626 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT4 P35916 1/20 0.42
FRK P42685 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1D P48730 1/20 0.42
LIMK1 P53667 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
DYRK1A Q13627 1/20 0.42
ERBB4 Q15303 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
PIM3 Q86V86 1/20 0.42

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
SCHEMBL989490 1.00 DYRK3 (0.42) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989337 0.84 DYRK3 (0.43) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989394 0.76 DYRK3 (0.46) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989352 0.76 DYRK3 (0.43) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989222 0.72 HTT (0.67) TLR8NPC1RAB9AHTTKDM4E
SCHEMBL990617 0.70 MAPK14 (0.43) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL5989263 0.70 DYRK3 (0.40) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL21580969 0.70 NPC1 (0.34) MAP4K4MAPK8LIMK1CLK4TLR8
SCHEMBL989186 0.68 ACSS2 (0.48) DYRK3PRKD3MAP4K4ERBB2PIM1
SCHEMBL989440 0.67 MAPK14 (0.55) DYRK3PRKD3MAP4K4ERBB2PIM1

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 DYRK3 676/4885PRKD3 213/4885MAP4K4 64/4885

“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.