SCHEMBL30896246

SCHEMBL30896246

Brc1cccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.65
NPY5R Q15761 2/20 0.63
SOS1 Q07889 1/20 0.54
PDE5A O76074 4/20 0.53
ACP1 P24666 2/20 0.53
OGG1 O15527 1/20 0.53
CAMK2D Q13557 2/20 0.52
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
TLR7 Q9NYK1 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
SCHEMBL27224015 1.00 MERTK (0.65) MERTKNPY5RSOS1PDE5AACP1
SCHEMBL27224044 0.88 MERTK (0.81) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL30896201 0.86 MERTK (0.65) MERTKNPY5RSOS1PDE5AACP1
SCHEMBL27223336 0.86 MERTK (0.65) MERTKNPY5RSOS1PDE5AACP1
SCHEMBL27223511 0.86 MERTK (0.75) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL24649757 0.84 MERTK (0.64) MERTKNPY5RCAMK2DABCG2TLR7
SCHEMBL30896191 0.84 MERTK (0.64) MERTKNPY5RCAMK2DABCG2TLR7
SCHEMBL14256561 0.83 MERTK (0.67) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL27224013 0.82 PDE5A (0.64) MERTKNPY5RPDE5ACAMK2D
SCHEMBL27223333 0.82 ABCG2 (0.68) MERTKNPY5RPDE5AABCG2

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 3423/4885NPY5R 2011/4885SOS1 4315/4885

“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.