SCHEMBL4886451

SCHEMBL4886451

O=C(Nc1nc(C(=O)NC2CCN(CC3CNc4ccccc43)CC2)cs1)c1ccc(F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.50
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
MAP3K14 Q99558 1/20 0.43
ACKR3 P25106 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL4889851 0.84 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
SCHEMBL4881110 0.83 MAPKAPK2 (0.62) MAPKAPK2ACKR3
SCHEMBL4880172 0.81 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
SCHEMBL4888386 0.81 MAPKAPK2 (0.48) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
SCHEMBL4891195 0.81 DRD4 (0.57) MAPKAPK2
SCHEMBL4886641 0.80 MAPKAPK2 (0.52) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
SCHEMBL4887575 0.80 MAPKAPK2 (0.51) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
Hydrochloric Acid SCHEMBL4887420 0.80 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL4886881 0.79 MAPKAPK2 (0.49) MAPKAPK2CLK1GSK3BMAP3K14ACKR3
SCHEMBL4879391 0.79 MAPKAPK2 (0.51) MAPKAPK2CLK1GSK3BMAP3K14ACKR3

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-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 MAPKAPK2 2482/4885CLK1 3418/4885GSK3B 2743/4885

“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.