SCHEMBL4892984

SCHEMBL4892984

O=C(Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)c1ccc(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.63
MCHR1 Q99705 2/20 0.60
DRD4 P21917 3/20 0.56
SLC6A12 P48065 2/20 0.56
SLC6A13 Q9NSD5 1/20 0.56
SIGMAR1 Q99720 3/20 0.55
TMEM97 Q5BJF2 1/20 0.55
PRKAA2 P54646 4/20 0.55
PRKAB2 O43741 2/20 0.55
PRKAG1 P54619 2/20 0.55
PRKAA1 Q13131 2/20 0.55
PRKAG3 Q9UGI9 2/20 0.55
PRKAG2 Q9UGJ0 2/20 0.55
PRKAB1 Q9Y478 2/20 0.55
ACKR3 P25106 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51

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 0.93 MAPKAPK2 (0.62) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4886522 0.90 MAPKAPK2 (0.61) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4894204 0.89 MAPKAPK2 (0.62) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4892360 0.89 MAPKAPK2 (0.64) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
Hydrochloric Acid SCHEMBL4887420 0.88 MAPKAPK2 (0.56) MAPKAPK2MCHR1DRD4
SCHEMBL4885734 0.85 MAPKAPK2 (0.62) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4891195 0.85 DRD4 (0.57) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4889803 0.85 PRKAA2 (0.59) MAPKAPK2MCHR1DRD4SLC6A12SLC6A13
SCHEMBL4889804 0.84 MAPKAPK2 (0.60) MAPKAPK2DRD4SLC6A12SLC6A13SIGMAR1
SCHEMBL4882258 0.84 MAPKAPK2 (0.59) MAPKAPK2DRD4SLC6A12SLC6A13SIGMAR1

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 2482/4885MCHR1 157/4885DRD4 513/4885

“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.