SCHEMBL30896201

SCHEMBL30896201

Clc1cccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.65
NPY5R Q15761 3/20 0.63
CAMK2D Q13557 2/20 0.62
PAK4 O96013 2/20 0.57
CTSV O60911 1/20 0.56
PLAT P00750 1/20 0.56
CTSL P07711 1/20 0.56
CTSH P09668 1/20 0.56
CTSS P25774 1/20 0.56
CASP14 P31944 1/20 0.56
CTSK P43235 1/20 0.56
CASP6 P55212 1/20 0.56
CTSZ Q9UBR2 1/20 0.56
SOS1 Q07889 1/20 0.54
PDE5A O76074 3/20 0.53
ACP1 P24666 1/20 0.53
OGG1 O15527 1/20 0.53

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
SCHEMBL27223336 1.00 MERTK (0.65) MERTKNPY5RCAMK2DPAK4CTSV
SCHEMBL5805116 0.91 CAMK2D (0.74) MERTKNPY5RCAMK2DPDE5AACP1
SCHEMBL27223939 0.91 CAMK2D (0.74) MERTKNPY5RCAMK2DPDE5AACP1
SCHEMBL27224037 0.90 CAMK2D (0.76) MERTKNPY5RCAMK2DPDE5AACP1
SCHEMBL27224044 0.88 MERTK (0.81) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL27223364 0.87 MERTK (0.76) MERTKNPY5RCAMK2DPDE5AACP1
SCHEMBL30896246 0.86 MERTK (0.65) MERTKNPY5RCAMK2DSOS1PDE5A
SCHEMBL27224015 0.86 MERTK (0.65) MERTKNPY5RCAMK2DSOS1PDE5A
SCHEMBL27223511 0.86 MERTK (0.75) MERTKNPY5RPAK4PDE5AACP1
SCHEMBL27223499 0.86 MERTK (0.68) MERTKNPY5RCAMK2DSOS1

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 2011/4885CAMK2D 389/4885

“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.