SCHEMBL85022

SCHEMBL85022

CC(C)(C)c1cc(F)c2c(N)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.40
PRKACA P17612 3/20 0.40
GSK3B P49841 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CDC7 O00311 2/20 0.40
ROCK2 O75116 2/20 0.40
PIM1 P11309 2/20 0.40
CDK2 P24941 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
BTK Q06187 3/20 0.38
CDK7 P50613 2/20 0.36
CDK9 P50750 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 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
SCHEMBL15181296 0.81 BTK (0.32) MAP4K4PRKACAGSK3BCLK4ROCK2
SCHEMBL91460 0.77 PRKACA (0.39) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL16680979 0.77 MAP4K4 (0.44) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL1317469 0.74 PDPK1 (0.50) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL91427 0.73 CLK4 (0.37) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL84391 0.73 EIF4A3 (0.39) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL1690456 0.71 CDC7 (0.37) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL84515 0.70 PDPK1 (0.55) MAP4K4PRKACAGSK3BCLK4ROCK2
SCHEMBL22328056 0.70 KDR (0.42) MAP4K4PRKACAGSK3BCLK4CDC7
SCHEMBL13084189 0.69 ALOX5AP (0.39) BTKROCK1PIK3CDPIK3CAPIK3CB

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAP4K4 117/4885PRKACA 51/4885GSK3B 1075/4885

“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.