SCHEMBL4886641

SCHEMBL4886641

O=C(Nc1nc(C(=O)NC2CCN(Cc3ccccc3O)CC2)cs1)c1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.52
ACKR3 P25106 1/20 0.46
POLB P06746 1/20 0.46
MCHR1 Q99705 1/20 0.45
DRD4 P21917 4/20 0.45
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
MAP3K14 Q99558 1/20 0.43
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
PRKAA2 P54646 1/20 0.42

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
SCHEMBL4881110 0.90 MAPKAPK2 (0.62) MAPKAPK2ACKR3MCHR1DRD4SLC6A12
SCHEMBL4879370 0.88 MAPKAPK2 (0.52) MAPKAPK2ACKR3
Hydrochloric Acid SCHEMBL4895600 0.87 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL4880172 0.85 MAPKAPK2 (0.49) MAPKAPK2ACKR3CLK1GSK3BMAP3K14
SCHEMBL4889851 0.85 MAPKAPK2 (0.49) MAPKAPK2ACKR3CLK1GSK3BMAP3K14
SCHEMBL4883872 0.85 MAPKAPK2 (0.49) MAPKAPK2ACKR3MCHR1DRD4CLK1
SCHEMBL4887575 0.85 MAPKAPK2 (0.51) MAPKAPK2ACKR3MCHR1DRD4CLK1
Hydrochloric Acid SCHEMBL4887420 0.85 MAPKAPK2 (0.56) MAPKAPK2MCHR1DRD4
SCHEMBL4891195 0.84 DRD4 (0.57) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4885713 0.84 MAPKAPK2 (0.51) MAPKAPK2ACKR3MCHR1DRD4CLK1

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 2482/4885ACKR3 16/4885POLB 4221/4885

“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.