SCHEMBL6786497

SCHEMBL6786497

COc1cc2c(cc1-c1cccc([N+](=O)[O-])c1)-c1nn3c(c1CC2)C(=O)NCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ABCB1 P08183 1/20 0.37
PDE4D Q08499 2/20 0.36
PDE4B Q07343 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP2 O95551 1/20 0.36
MET P08581 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6787144 0.95 MEN1 (0.39) MEN1KMT2AADRA2AADRA2BADRA2C
Bromide SCHEMBL1655247 0.87 TDP2 (0.37) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL4260060 0.82 ALPL (0.34) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL4444184 0.79 MAPKAPK2 (0.40) KMT2AMAPTTDP2MET
SCHEMBL6786790 0.78 HTR2C (0.39) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4260056 0.78 KDM1A (0.37) MEN1KMT2AMAPTTDP2MET
SCHEMBL4264450 0.74 MAPKAPK2 (0.45) PDE4B
SCHEMBL6787358 0.73 POLB (0.40) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6798081 0.73 MAPKAPK2 (0.34) MEN1KMT2AKDM4EMAPT
SCHEMBL4264409 0.70 MAPKAPK2 (0.56)

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 MEN1 1382/4885KMT2A 1257/4885ADRA2A 1728/4885

“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.