SCHEMBL6794512

SCHEMBL6794512

CC(=O)Nc1ccc2c(c1)CCc1c-2n[nH]c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALPL P05186 1/20 0.51
CLK1 P49759 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ATM Q13315 1/20 0.51
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CCNA1 P78396 3/20 0.48
BAZ2B Q9UIF8 1/20 0.47
AURKA O14965 2/20 0.46
PLK1 P53350 1/20 0.46
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 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
SCHEMBL6792801 0.89 MEN1 (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6791513 0.84 RAB9A (0.49) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6794199 0.80 CCNA2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6792399 0.80 CCNA2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6793552 0.80 CCNA2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6791618 0.79 MEN1 (0.80) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL10341522 0.78 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6793534 0.73 MEN1 (0.65) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6795304 0.73 CCNA2 (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6797114 0.73 CCNA2 (0.58) NPC1RAB9AMEN1KMT2AKDM4E

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 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 NPC1 4242/4885RAB9A 2148/4885MEN1 1382/4885

“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.