SCHEMBL6794554

SCHEMBL6794554

FC(F)c1[nH]nc2c1CCc1cnccc1-2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
GSR P00390 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
CLK1 P49759 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL6793634 0.75 CHRNB2 (0.36) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6794364 0.75 CHRNB2 (0.36) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6800060 0.75 AURKA (0.46) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6792954 0.74 NPC1 (0.44) CHRNB2CHRNA4SIGMAR1GSRNPC1
SCHEMBL6787408 0.74 MEN1 (0.58) CHRNB2CHRNA4GSRNPC1RAB9A
SCHEMBL6797114 0.73 CCNA2 (0.58) GSRNPC1RAB9AMEN1KMT2A
SCHEMBL6793009 0.70 NPC1 (0.39) GSRNPC1KDM4EALPLHSD17B10
SCHEMBL6793663 0.70 NPC1 (0.63) GSRNPC1RAB9AMEN1KMT2A
SCHEMBL6799055 0.69 MEN1 (0.49) GSRNPC1RAB9AMEN1KMT2A
SCHEMBL6794908 0.68 AURKA (0.54) GSRNPC1RAB9AMEN1KMT2A

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.