SCHEMBL6794364

SCHEMBL6794364

N#Cc1[nH]nc2c1CCc1cnccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
GSR P00390 1/20 0.34
NPC1 O15118 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPK10 P53779 2/20 0.32
RIPK1 Q13546 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALPL P05186 1/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
RAB9A P51151 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL6800060 0.77 AURKA (0.46) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6794554 0.75 CHRNB2 (0.37) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6793634 0.74 CHRNB2 (0.36) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6787408 0.73 MEN1 (0.58) CHRNB2CHRNA4GSRNPC1KDM4E
SCHEMBL6792954 0.73 NPC1 (0.44) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6797114 0.72 CCNA2 (0.58) GSRNPC1KDM4EMEN1ALPL
SCHEMBL6799055 0.70 MEN1 (0.49) GSRNPC1AAK1MAPK10RIPK1
SCHEMBL6794908 0.70 AURKA (0.54) GSRNPC1MAPK10RIPK1KDM4E
SCHEMBL6793663 0.69 NPC1 (0.63) GSRNPC1KDM4EMEN1ALPL
SCHEMBL6793009 0.69 NPC1 (0.39) GSRNPC1KDM4EALPLHSD17B10

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CHRNB2 2820/4885CHRNA4 4133/4885SIGMAR1 4084/4885

“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.