SCHEMBL3059654

SCHEMBL3059654

Cc1cnccc1C(=O)N(Cc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
TACR1 P25103 2/20 0.48
PDK1 Q15118 12/20 0.48
PDK2 Q15119 2/20 0.47
PDK4 Q16654 2/20 0.47
PDK3 Q15120 1/20 0.46
ATF1 P18846 1/20 0.45
NFKB1 P19838 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44

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
SCHEMBL4661455 0.95 GAA (0.50) GAATSHRTACR1PDK1PDK2
SCHEMBL3059757 0.90 NR1H4 (0.57) GAATSHRPDK1PDK2PDK4
SCHEMBL3058600 0.88 RAB9A (0.51) GAATSHRTACR1PDK1ATF1
SCHEMBL3065409 0.88 GAA (0.63) GAATSHRPDK1PDK2PDK4
SCHEMBL3054727 0.87 GAA (0.53) GAATSHRPDK1PDK2PDK4
SCHEMBL3061621 0.87 GAA (0.55) GAATSHRPDK1PDK2PDK4
SCHEMBL3060075 0.85 GAA (0.53) GAATSHRPDK1PDK2PDK4
SCHEMBL3062368 0.83 GAA (0.64) GAATSHRPDK1
SCHEMBL3065041 0.83 TSHR (0.56) GAATSHRPDK1PDK2PDK4
SCHEMBL3043503 0.83 PDK1 (0.51) PDK1PDK2PDK4PDK3ATF1

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 GAA 1212/4885TSHR 384/4885TACR1 83/4885

“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.