SCHEMBL3064689

SCHEMBL3064689

O=C(c1ccncc1)N(Cc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
MAPK14 Q16539 1/20 0.45
PDK1 Q15118 8/20 0.44
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44
ACHE P22303 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CETP P11597 1/20 0.42
GPBAR1 Q8TDU6 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
SCHEMBL3043503 0.84 PDK1 (0.51) NR1H4PDK1ATF1NFKB1S1PR1
SCHEMBL4582467 0.83 BLM (0.44) PDK1S1PR1MAPTCETP
SCHEMBL3061617 0.83 MAPK14 (0.50) TSHRGAANR1H4MAPK14PDK1
SCHEMBL4581453 0.83 S1PR1 (0.47) NR1H4PDK1S1PR1MAPTPPARG
SCHEMBL3065041 0.82 TSHR (0.56) TSHRGAANR1H4MAPK14PDK1
SCHEMBL3057341 0.80 TSHR (0.59) TSHRGAANR1H4MAPK14PDK1
SCHEMBL3053508 0.79 TSHR (0.48) TSHRGAAMAPK14PDK1ACHE
SCHEMBL3065531 0.78 TSHR (0.54) TSHRGAANR1H4MAPK14PDK1
SCHEMBL28786186 0.78 BLM (0.42) PDK1S1PR1MAPTCETP
SCHEMBL3060251 0.78 TSHR (0.71) TSHRGAANR1H4MAPK14PDK1

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 TSHR 384/4885GAA 1212/4885NR1H4 100/4885

“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.