SCHEMBL3044246

SCHEMBL3044246

Cc1cnccc1C(=O)N(Cc1ccccc1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PDK1 Q15118 11/20 0.48
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.45
NPC1 O15118 2/20 0.44
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPK14 Q16539 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3043556 0.88 RAB9A (0.65) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3065409 0.88 GAA (0.63) RAB9AGAATSHRPDK1PDK2
SCHEMBL3053488 0.87 MAPK14 (0.54) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3054727 0.87 GAA (0.53) RAB9AGAATSHRPDK1PDK2
SCHEMBL3052473 0.86 NOS3 (0.61) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3058600 0.86 RAB9A (0.51) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3055205 0.85 RAB9A (0.58) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3064672 0.84 RAB9A (0.55) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3066044 0.84 TRPM8 (0.47) RAB9ANOS3NOS1NOS2GAA
SCHEMBL3065721 0.84 ALDH1A1 (0.62) RAB9ANOS3NOS1NOS2GAA

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 2 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

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 RAB9A 1263/4885NOS3 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.