SCHEMBL6788948

SCHEMBL6788948

NC(=O)c1[nH]nc2c1CCc1nn(COCc3ccccc3)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
IKBKB O14920 8/20 0.42
AURKA O14965 3/20 0.39
PLK1 P53350 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPL P05186 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6791285 0.79 CCNA2 (0.44) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL12643507 0.62 IKBKB (0.75) IKBKBADORA1
SCHEMBL5359814 0.60 HDAC1 (0.43) NPC1RAB9AKDM4EPOLBMAPT
SCHEMBL6790531 0.60 CCNA2 (0.60) CCNA2CDK2CCNA1IKBKBAURKA
Carbamic Acid SCHEMBL119806 0.59 TSHR (0.71) NPC1RAB9AKDM4EPOLBALDH1A1
Urea SCHEMBL28054623 0.59 TSHR (0.71) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL14348149 0.58 TSHR (0.44) NPC1RAB9AMAPTALDH1A1TDP1
SCHEMBL203767 0.58 TSHR (0.56) NPC1RAB9AKDM4EPOLBMAPT
SCHEMBL5356970 0.57 NPC1 (0.48) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL3085018 0.57 PTGER1 (0.45) NPC1RAB9AKDM4EPOLBMAPT

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 2 patents. 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
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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.