SCHEMBL27224034

SCHEMBL27224034

CCOCCCNc1nc(NC2CCCCC2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.54
▸ MERTK Q12866 8/20 0.53
▸ KDM1A O60341 2/20 0.53
▸ EHMT2 Q96KQ7 2/20 0.53
▸ CXCR4 P61073 1/20 0.53
▸ NPY5R Q15761 1/20 0.52
▸ PDE5A O76074 2/20 0.51
▸ ACP1 P24666 2/20 0.51
▸ OGG1 O15527 1/20 0.51
▸ TLR7 Q9NYK1 2/20 0.49
▸ APP P05067 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ TYRO3 Q06418 1/20 0.47
▸ GAS6 Q14393 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47

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
SCHEMBL8919640 0.80 MERTK (0.56) MERTKKDM1AEHMT2CXCR4NPY5R
SCHEMBL14256578 0.79 MERTK (0.55) GBA1MERTKKDM1AEHMT2CXCR4
SCHEMBL24649614 0.78 NPY5R (0.79) GBA1MERTKNPY5RPDE5AACP1
Hydrochloric Acid SCHEMBL8905933 0.77 EHMT2 (0.54) MERTKKDM1AEHMT2CXCR4NPY5R
SCHEMBL24649781 0.76 CXCR4 (0.63) MERTKEHMT2CXCR4NPY5RPDE5A
SCHEMBL30896224 0.76 CXCR4 (0.63) MERTKEHMT2CXCR4NPY5RPDE5A
SCHEMBL23260475 0.76 EHMT2 (0.68) KDM1AEHMT2SLC2A1RCOR1
SCHEMBL16280668 0.75 NPY5R (0.62) GBA1MERTKNPY5RPDE5AACP1
SCHEMBL14266664 0.75 APP (0.62) MERTKEHMT2CXCR4NPY5RPDE5A
SCHEMBL27224041 0.75 MERTK (0.61) GBA1MERTKCXCR4NPY5RPDE5A

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 GBA1 3401/4885MERTK 3423/4885KDM1A 3832/4885

“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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