SCHEMBL6793618

SCHEMBL6793618

COc1ccc2c3c(ccc2c1)C(C(=O)O)N(CCCNC(=O)OC(C)(C)C)N3C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 6/20 0.41
DRD2 P14416 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
NQO2 P16083 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6793931 0.73 DYRK1A (0.50) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL17997425 0.70 MTNR1A (0.60) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL219770 0.67 KDM4E (0.48) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL3203569 0.67 CA12 (0.54) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL219771 0.67 AKR1C3 (0.56) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL3155955 0.66 CA12 (0.53) DYRK1AKDM4ENPC1RAB9AMAPT
SCHEMBL17378054 0.66 CA4 (0.61) KDM4ENPC1RAB9AMAPTBRD4
SCHEMBL17997427 0.66 DYRK1A (0.52) DYRK1ABRD4DRD2CA12CA1
SCHEMBL17378162 0.65 CA4 (0.60) KDM4ENPC1RAB9AMAPTDRD2
SCHEMBL4488719 0.65 BRD4 (0.60) KDM4ENPC1RAB9AMAPTBRD4

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 DYRK1A 754/4885KDM4E 2167/4885NPC1 4242/4885

“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.