SCHEMBL30896243

SCHEMBL30896243

c1ccc2c(NC3CCCCC3)nc(N3CCOCC3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.73
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 7/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
RECQL P46063 1/20 0.65
HTR2A P28223 2/20 0.61
GAA P10253 5/20 0.60
PDE5A O76074 3/20 0.60
KMT2A Q03164 2/20 0.60
GLA P06280 4/20 0.58
ACP1 P24666 2/20 0.56
OGG1 O15527 1/20 0.56
DNMT3A Q9Y6K1 2/20 0.56
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
TLR7 Q9NYK1 1/20 0.54
MEN1 O00255 1/20 0.53
TP53 P04637 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
SCHEMBL11743074 1.00 CCR4 (0.73) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14941378 0.84 DNMT3A (0.68) KDM4EALDH1A1LMNAHTTNPSR1
SCHEMBL14256631 0.84 CCR4 (0.71) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14256594 0.84 CCR4 (0.71) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14256555 0.82 CCR4 (0.65) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14256570 0.82 CCR4 (0.65) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14256788 0.80 CCR4 (0.65) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14266666 0.80 CCR4 (0.65) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL3636286 0.79 KDM4E (1.00) CCR4KDM4EALDH1A1LMNAHTT
SCHEMBL14256461 0.78 HSD17B10 (0.78) CCR4KDM4EALDH1A1LMNAHTT

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 CCR4 490/4885KDM4E 4181/4885ALDH1A1 973/4885

“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.