SCHEMBL3049960

SCHEMBL3049960

Cc1oncc1C(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
PDK2 Q15119 2/20 0.47
PDK4 Q16654 2/20 0.47
PDK3 Q15120 1/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL8808399 0.88 RAB9A (0.51) PDK1GAATSHRRAB9APDK2
SCHEMBL9754183 0.87 PDK1 (0.43) PDK1GAATSHRRAB9APDK2
SCHEMBL9539254 0.87 RAB9A (0.50) PDK1GAATSHRRAB9AS1PR1
SCHEMBL9754181 0.85 NR1H4 (0.43) PDK1GAATSHRRAB9APDK2
SCHEMBL8810187 0.81 TSHR (0.48) GAATSHRRAB9ANPC1ALDH1A1
SCHEMBL27323811 0.80 LMNA (0.41) GAATSHRRAB9ANPC1ALDH1A1
SCHEMBL3058947 0.80 TSHR (0.56) GAATSHRRAB9AS1PR1S1PR3
SCHEMBL5482146 0.78 KMT2A (0.67) PDK1GAATSHRRAB9APDK2
SCHEMBL3065409 0.78 GAA (0.63) PDK1GAATSHRRAB9APDK2
SCHEMBL9392594 0.77 KMT2A (0.52) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A

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 2335/4885GAA 1212/4885TSHR 384/4885

“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.