SCHEMBL6793448

SCHEMBL6793448

O=C1NCCn2nc3c(c21)CCc1c-3ccnc1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CDC7 O00311 1/20 0.36
PIM1 P11309 6/20 0.35
PIM2 Q9P1W9 6/20 0.35
BUB1 O43683 5/20 0.34
PIM3 Q86V86 1/20 0.34
CCR2 P41597 1/20 0.33
JAK2 O60674 1/20 0.32
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL4271434 0.80 PIM1 (0.38) BRD4CDC7PIM1PIM2
SCHEMBL5228949 0.79 EP300 (0.41) BRD4PIM1PIM2BUB1PIM3
SCHEMBL6791724 0.78 CNR1 (0.34) CDC7GSK3B
SCHEMBL4158608 0.76 CDK2 (0.52)
SCHEMBL4450382 0.74 PIM1 (0.37) BRD4PIM1PIM2
SCHEMBL6797609 0.72 SIGMAR1 (0.36) PIM1PIM2
SCHEMBL6794024 0.72 MAPKAPK2 (0.41) CDC7
SCHEMBL460089 0.71 CDC7 (0.39) CDC7
SCHEMBL4150539 0.71 CDK2 (0.51)
SCHEMBL4260268 0.69 HTR2B (0.43) PIM1PIM2HTR2AHTR2CHTR2B

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 BRD4 833/4885CDC7 245/4885PIM1 633/4885

“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.