SCHEMBL6791583

SCHEMBL6791583

COc1ccc2c(c1)-c1n[nH]c(C(=O)O)c1C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 4/20 0.68
ALPL P05186 3/20 0.68
HSD17B10 Q99714 2/20 0.68
CLK1 P49759 1/20 0.68
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
PDGFRB P09619 2/20 0.47
ACHE P22303 1/20 0.46
CHEK1 O14757 4/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
GSR P00390 1/20 0.42
METAP1 P53582 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
SCHEMBL6787223 0.92 MEN1 (0.80) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6795133 0.89 MEN1 (0.54) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6793273 0.81 KDM4E (0.47) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL856872 0.81 KDM4E (1.00) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6795251 0.81 MEN1 (0.63) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6793178 0.76 KDM4E (0.53) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6787018 0.74 CHEK1 (0.46) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL4041860 0.74 PDGFRB (0.65) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL4047927 0.73 PDGFRB (0.55) MEN1KMT2AKDM4EALPLHSD17B10
SCHEMBL6794279 0.72 MEN1 (0.64) MEN1KMT2AKDM4EALPLHSD17B10

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 MEN1 1382/4885KMT2A 1257/4885KDM4E 2167/4885

“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.