SCHEMBL4166807

SCHEMBL4166807

C#CC(C(=O)OC(C)(C)C)N(CC1CCCN1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.30

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
SCHEMBL3266851 0.88 PRKAB2 (0.33)
SCHEMBL3266861 0.88 PRKAB2 (0.33)
SCHEMBL3266855 0.88 PRKAB2 (0.33)
Hydrochloric Acid SCHEMBL4162703 0.87 HTR6 (0.36) HTR6
Hydrochloric Acid SCHEMBL4162707 0.87 HTR6 (0.36) HTR6
SCHEMBL4157558 0.85 HTR6 (0.31) HTR6
Butyric Acid SCHEMBL4166813 0.85 BRD4 (0.33)
Hydrochloric Acid SCHEMBL4158188 0.82 HTR6 (0.32) HTR6
Hydrochloric Acid SCHEMBL4158190 0.82 HTR6 (0.32) HTR6
SCHEMBL4166215 0.81 HTR6 (0.34) HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed

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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 HTR6 4018/4885

“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.