SCHEMBL24649758

SCHEMBL24649758

Fc1ccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.98

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 7/20 0.98
▸ NPY5R Q15761 3/20 0.71
▸ PDE5A O76074 2/20 0.60
▸ ACP1 P24666 2/20 0.60
▸ GBA1 P04062 4/20 0.59
▸ TLR7 Q9NYK1 2/20 0.57
▸ OGG1 O15527 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ TCF7L2 Q9NQB0 1/20 0.56

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
SCHEMBL30896250 1.00 MERTK (0.98) MERTKNPY5RPDE5AACP1GBA1
SCHEMBL27224044 0.91 MERTK (0.81) MERTKNPY5RPDE5AACP1GBA1
SCHEMBL27223950 0.89 MERTK (0.78) MERTKNPY5RPDE5AACP1GBA1
SCHEMBL8889634 0.88 MERTK (0.98) MERTKNPY5RPDE5AACP1TLR7
SCHEMBL27223364 0.88 MERTK (0.76) MERTKNPY5RPDE5AACP1TLR7
SCHEMBL27223511 0.87 MERTK (0.75) MERTKNPY5RPDE5AACP1GBA1
SCHEMBL24649804 0.87 MERTK (0.75) MERTKNPY5RPDE5AACP1GBA1
SCHEMBL30896206 0.87 MERTK (0.75) MERTKNPY5RPDE5AACP1GBA1
Hydrochloric Acid SCHEMBL8890334 0.87 MERTK (0.95) MERTKNPY5RPDE5AACP1TLR7
SCHEMBL14256556 0.84 MERTK (0.81) MERTKNPY5RPDE5AACP1TLR7

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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 — — US disclosed
WO-2022173743-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING, OR AMELIORATING AIRWAY DISEASE THOMAS JEFFERSON UNIVERSITY (US) 2022-08-18 — — WO 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 3423/4885NPY5R 2011/4885PDE5A 285/4885

“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.

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