SCHEMBL6794644

SCHEMBL6794644

O=C1NCCCn2nc3c(c21)CCc1cc(O)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PRKCI P41743 1/20 0.38
PTAFR P25105 1/20 0.37
PRKD1 Q15139 3/20 0.36
S1PR1 P21453 3/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NTRK1 P04629 1/20 0.35
CCNA2 P20248 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
SCHEMBL4260901 0.83 MAPKAPK2 (0.39) SIGMAR1MAPKAPK2
SCHEMBL4260846 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6792527 0.79 SIGMAR1 (0.33) SIGMAR1CDK2MAPKAPK2
SCHEMBL6797609 0.77 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6798081 0.76 MAPKAPK2 (0.34) ALDH1A1LMNASIGMAR1MAPKAPK2
SCHEMBL4260865 0.76 MAPKAPK2 (0.41) MAPKAPK2
Trifluoroacetic Acid SCHEMBL6794758 0.76 KDM1A (0.34)
SCHEMBL4263111 0.75 SIGMAR1 (0.32) SIGMAR1MAPKAPK2
SCHEMBL460089 0.74 CDC7 (0.39) SIGMAR1
SCHEMBL1660776 0.74 MAPKAPK2 (0.43) CDK2MAPKAPK2

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 MAOA 2249/4885MAOB 1745/4885PRKCI 201/4885

“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.