SCHEMBL3050876

SCHEMBL3050876

Cc1cnccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 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
SCHEMBL3052135 0.90 TRPM8 (0.48) PDK1NOS3NOS1NOS2TRPM8
SCHEMBL3058475 0.89 NOS3 (0.43) PDK1NOS3NOS1NOS2TRPM8
SCHEMBL3052398 0.85 MEN1 (0.48) NOS3NOS1NOS2GPBAR1MAPK1
SCHEMBL3060075 0.84 GAA (0.53) PDK1NOS3NOS1NOS2GAA
SCHEMBL3048580 0.83 RAB9A (0.44) PDK1NOS3NOS1NOS2TRPM8
SCHEMBL3177779 0.83 TRPM8 (0.62) PDK1TRPM8MAPK1TP53LMNA
SCHEMBL3052473 0.83 NOS3 (0.61) PDK1NOS3NOS1NOS2HTT
SCHEMBL3056522 0.83 ATF1 (0.57) PDK1NOS3NOS1NOS2GAA
SCHEMBL3067512 0.82 TSHR (0.47) PDK1TRPM8TP53TMEM97SIGMAR1
SCHEMBL3050032 0.82 NOS3 (0.55) PDK1NOS3NOS1NOS2GAA

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 3 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
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 2335/4885NOS3 3019/4885NOS1 3682/4885

“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.