SCHEMBL3043583

SCHEMBL3043583

Cc1cnccc1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.54
SERPINE1 P05121 1/20 0.51
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 3/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CETP P11597 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAPK14 Q16539 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3048769 0.87 GAA (0.51) PDK1GAATSHRMEN1KMT2A
SCHEMBL4661455 0.86 GAA (0.50) PDK1GAATSHRMEN1KMT2A
SCHEMBL3065409 0.85 GAA (0.63) PDK1GAATSHRKMT2ATRPM8
SCHEMBL3053488 0.84 MAPK14 (0.54) PDK1GAATSHRMEN1KMT2A
SCHEMBL3059962 0.83 GAA (0.54) PDK1GAATSHRLTB4R2KDM4C
SCHEMBL3064585 0.82 GAA (0.51) PDK1GAATSHRKDM4C
SCHEMBL3057449 0.82 GAA (0.53) PDK1GAATSHRLTB4R2NOS3
SCHEMBL3061458 0.81 MAPK14 (0.54) PDK1GAATSHRLTB4R2MAPK14
SCHEMBL3059654 0.81 GAA (0.50) PDK1GAATSHR
SCHEMBL3062368 0.81 GAA (0.64) PDK1GAATSHR

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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 PDK1 2335/4885SERPINE1 3969/4885GAA 1212/4885

“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.