SCHEMBL6799558

SCHEMBL6799558

N#Cc1cccc(NC(=O)NCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.46
HTR2A P28223 7/20 0.46
ROCK2 O75116 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6792362 0.80 FES (0.42) CCR3ROCK2
SCHEMBL6794493 0.79 CDK2 (0.36) ROCK2
SCHEMBL6793287 0.77 ROCK2 (0.36) ROCK2
SCHEMBL6799797 0.77 AAK1 (0.35)
Hydrochloric Acid SCHEMBL4263501 0.76 CYP3A4 (0.34) HTR2AROCK2SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL6792947 0.76 CYP1A2 (0.38)
Trifluoroacetic Acid SCHEMBL6793644 0.75 CDK2 (0.36) HTR2AROCK2
SCHEMBL1659385 0.75 CDK2 (0.34) ROCK2
Trifluoroacetic Acid SCHEMBL6797949 0.74 PTGES (0.39)
Trifluoroacetic Acid SCHEMBL6790792 0.74 KDM4E (0.33)

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 CCR3 3934/4885HTR2A 1489/4885ROCK2 317/4885

“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.