SCHEMBL3044606

SCHEMBL3044606

N#Cc1cccc(CN(C(=O)c2ccncc2)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
NPC1 O15118 2/20 0.65
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
PDK1 Q15118 2/20 0.52
ACHE P22303 1/20 0.47
USP2 O75604 1/20 0.46
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
MAPK14 Q16539 1/20 0.45
PTGES O14684 3/20 0.44
ALOX5 P09917 3/20 0.44
KDM4E B2RXH2 1/20 0.44
VNN1 O95497 1/20 0.43
RAB9A P51151 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
LTC4S Q16873 1/20 0.43
MLYCD O95822 1/20 0.42

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
SCHEMBL3060251 0.83 TSHR (0.71) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3067593 0.82 MEN1 (0.52) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3058477 0.81 TSHR (0.55) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3053493 0.77 PDK1 (0.50) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3050282 0.76 NPC1 (0.61) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3053543 0.75 TSHR (0.59) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3060156 0.75 MAPK14 (0.66) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3057341 0.75 TSHR (0.59) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3054221 0.75 TSHR (0.59) KMT2AMEN1NPC1TSHRGAA
SCHEMBL3052776 0.75 TSHR (0.59) KMT2AMEN1NPC1TSHRGAA

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 1 patent. 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

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 KMT2A 1989/4885MEN1 1499/4885NPC1 736/4885

“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.