SCHEMBL4890455

SCHEMBL4890455

O=C(Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.60
PRKAA2 P54646 4/20 0.58
PRKAB2 O43741 3/20 0.58
PRKAG1 P54619 3/20 0.58
PRKAA1 Q13131 3/20 0.58
PRKAG3 Q9UGI9 3/20 0.58
PRKAG2 Q9UGJ0 3/20 0.58
PRKAB1 Q9Y478 3/20 0.58
SIGMAR1 Q99720 1/20 0.56
DRD4 P21917 2/20 0.55
CXCR4 P61073 1/20 0.53
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACKR3 P25106 1/20 0.51
LMNA P02545 2/20 0.51
SLC6A12 P48065 1/20 0.49
SLC6A13 Q9NSD5 1/20 0.49

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
SCHEMBL4885734 0.90 MAPKAPK2 (0.62) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4889804 0.87 MAPKAPK2 (0.60) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4889803 0.86 PRKAA2 (0.59) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4894204 0.86 MAPKAPK2 (0.62) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4886522 0.85 MAPKAPK2 (0.61) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4891195 0.84 DRD4 (0.57) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4892360 0.84 MAPKAPK2 (0.64) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4892984 0.83 MAPKAPK2 (0.63) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4882258 0.83 MAPKAPK2 (0.59) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4881110 0.82 MAPKAPK2 (0.62) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1

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 2482/4885PRKAA2 3998/4885PRKAB2 3496/4885

“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.