SCHEMBL30896191

SCHEMBL30896191

FC(F)(F)c1cccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.64
TLR7 Q9NYK1 3/20 0.60
NPY5R Q15761 1/20 0.60
CTSC P53634 1/20 0.59
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
IDH2 P48735 3/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
CAMK2D Q13557 1/20 0.52
EGFR P00533 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
SCHEMBL24649757 1.00 MERTK (0.64) MERTKTLR7NPY5RCTSCMAPT
SCHEMBL27223511 0.86 MERTK (0.75) MERTKTLR7NPY5RABCG2
SCHEMBL27224044 0.85 MERTK (0.81) MERTKTLR7NPY5R
SCHEMBL27224015 0.84 MERTK (0.65) MERTKTLR7NPY5RABCG2CAMK2D
SCHEMBL30896246 0.84 MERTK (0.65) MERTKTLR7NPY5RABCG2CAMK2D
SCHEMBL30896201 0.84 MERTK (0.65) MERTKNPY5RCAMK2D
SCHEMBL27223336 0.84 MERTK (0.65) MERTKNPY5RCAMK2D
SCHEMBL30896206 0.81 MERTK (0.75) MERTKTLR7NPY5RCAMK2D
SCHEMBL24649804 0.81 MERTK (0.75) MERTKTLR7NPY5RCAMK2D
SCHEMBL27223950 0.81 MERTK (0.78) MERTKTLR7NPY5RCAMK2D

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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease ADRB2, ADRB1, ADRB3 MERTK 3423/4885TLR7 1962/4885NPY5R 2011/4885

“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.