SCHEMBL3056502

SCHEMBL3056502

Cc1cnccc1C(=O)N(Cc1c(C)cccc1C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
HTT P42858 1/20 0.44
PDK1 Q15118 8/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
MAPK1 P28482 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3048615 0.89 NOS3 (0.48) TSHRGAANOS3NOS1NOS2
SCHEMBL3065409 0.88 GAA (0.63) TSHRGAAHTTPDK1RAB9A
SCHEMBL3043363 0.87 MAPT (0.49) TSHRGAANOS3NOS1NOS2
SCHEMBL3059962 0.84 GAA (0.54) TSHRGAAPDK1LTB4R2KDM4C
SCHEMBL3062368 0.84 GAA (0.64) TSHRGAAPDK1
SCHEMBL3055205 0.83 RAB9A (0.58) TSHRGAANOS3NOS1NOS2
SCHEMBL3053488 0.82 MAPK14 (0.54) TSHRGAANOS3NOS1NOS2
SCHEMBL3057449 0.82 GAA (0.53) TSHRGAANOS3NOS1NOS2
SCHEMBL3061621 0.82 GAA (0.55) TSHRGAAPDK1RAB9AKMT2A
SCHEMBL3043556 0.81 RAB9A (0.65) TSHRGAANOS3NOS1NOS2

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 1212/4885NOS3 3019/4885

“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.