SCHEMBL84391

SCHEMBL84391

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.39
KDR P35968 5/20 0.37
PDPK1 O15530 2/20 0.37
AURKA O14965 1/20 0.37
TGFBR1 P36897 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK1 P28482 6/20 0.36
CLK4 Q9HAZ1 4/20 0.36
MAP4K4 O95819 3/20 0.36
PRKACA P17612 3/20 0.36
GSK3B P49841 3/20 0.36
CDK7 P50613 2/20 0.36
CDC7 O00311 2/20 0.36
ROCK2 O75116 2/20 0.36
PIM1 P11309 2/20 0.36
CDK2 P24941 2/20 0.36
HIPK2 Q9H2X6 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
CDK9 P50750 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL91460 0.77 PRKACA (0.39) KDRPDPK1AURKATGFBR1AURKB
SCHEMBL16680979 0.77 MAP4K4 (0.44) KDRPDPK1CLK4MAP4K4PRKACA
SCHEMBL1317469 0.74 PDPK1 (0.50) KDRPDPK1AURKAAURKBCLK4
SCHEMBL85022 0.73 MAP4K4 (0.40) KDRPDPK1CLK4MAP4K4PRKACA
SCHEMBL91427 0.73 CLK4 (0.37) KDRPDPK1AURKAAURKBCLK4
SCHEMBL84573 0.70 PDPK1 (0.55) KDRPDPK1AURKATGFBR1AURKB
SCHEMBL25696130 0.70 KDR (0.42) KDRPDPK1AURKATGFBR1AURKB
SCHEMBL13524510 0.68 PDPK1 (0.50) KDRPDPK1AURKATGFBR1AURKB
SCHEMBL13394497 0.68 PDPK1 (0.40) EIF4A3KDRPDPK1AURKATGFBR1
SCHEMBL18925631 0.67 ADRB2 (0.40) EIF4A3GAA

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
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 (2 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 EIF4A3 2192/4885KDR 1094/4885PDPK1 253/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS EIF4A3 2171/4885KDR 1524/4885PDPK1 94/4885

“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.