SCHEMBL6793878

SCHEMBL6793878

O=C1NCCCn2nc3c(c21)CCc1cnc(-c2ccccc2)nc1-3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.41
HTR2C P28335 1/20 0.37
ADK P55263 2/20 0.34
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CNR1 P21554 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
IRAK1 P51617 1/20 0.33

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
SCHEMBL4267057 0.91 MAPKAPK2 (0.37) MAPKAPK2
Hydrochloric Acid SCHEMBL4255905 0.91 MAPKAPK2 (0.40) MAPKAPK2SIGMAR1IRAK1
SCHEMBL4255920 0.91 CSNK1A1 (0.45) MAPKAPK2CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL4258589 0.88 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL4259022 0.83 TMEM97 (0.39) MAPKAPK2SIGMAR1
SCHEMBL4150539 0.83 CDK2 (0.51)
SCHEMBL4260865 0.82 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL13852037 0.82 SIGMAR1 (0.33) MAPKAPK2SIGMAR1IRAK1
SCHEMBL4160344 0.82 KDM4E (0.36) MAPKAPK2SIGMAR1
SCHEMBL4442281 0.78 PARP10 (0.46) MAPKAPK2CSNK1A1CSNK1DGSK3BCSNK1G2

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 claimed

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 MAPKAPK2 2/4885HTR2C 1043/4885ADK 237/4885

“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.