SCHEMBL3053571

SCHEMBL3053571

O=C(c1ccncc1)N(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.63
PTGES O14684 2/20 0.56
ALOX5 P09917 2/20 0.56
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
PDK1 Q15118 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CFTR P13569 1/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL7695802 0.86 MAPK14 (0.53) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3060251 0.84 TSHR (0.71) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3064954 0.82 MAPK14 (0.49) MAPK14TSHRGAARAB9APDK1
SCHEMBL3052776 0.81 TSHR (0.59) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3060156 0.81 MAPK14 (0.66) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3057341 0.81 TSHR (0.59) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3061617 0.80 MAPK14 (0.50) MAPK14TSHRGAANPC1RAB9A
SCHEMBL3054466 0.80 NPC1 (0.66) MAPK14PTGESALOX5TSHRGAA
SCHEMBL3065531 0.80 TSHR (0.54) MAPK14TSHRGAANPC1RAB9A
SCHEMBL2162478 0.80 ROCK1 (0.53) MAPK14TSHRGAANPC1RAB9A

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
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
WO-2002042276-A1 QUARTERNARY PROFORMS OF TERTIARY AMINE CONTAINING COMPOUNDS LEO PHARMA A/S (DK) 2002-05-30 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 MAPK14 3886/4885PTGES 1788/4885ALOX5 2616/4885

“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.