SCHEMBL4604718

SCHEMBL4604718

CCNc1cccc(-c2nnnn2C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 15/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CASR P41180 1/20 0.41
ACLY P53396 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12852974 0.83 SMN1; SMN2 (0.47) CCR3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL20888456 0.82 SMN1; SMN2 (0.46) CCR3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13996503 0.79 LMNA (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL27589483 0.78 CCR3 (0.53) CCR3CASR
SCHEMBL12377870 0.77 L3MBTL1 (0.62) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12879723 0.77 MEN1 (0.48) CCR3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13996513 0.77 RIPK2 (0.48) CCR3CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4772900 0.76 CCR3 (0.52) CCR3CASR
SCHEMBL7080279 0.76 CCR3 (0.45) CCR3SMN1; SMN2CASR
SCHEMBL7452483 0.74 ACLY (0.53) CCR3MEN1CYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 CCR3 1/4885MEN1 4873/4885CYP1A2 1758/4885

“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.