SCHEMBL4606174

SCHEMBL4606174

Cn1nnnc1-c1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CYP2A6 P11509 2/20 0.42
PTK2 Q05397 1/20 0.41
CYP11B2 P19099 3/20 0.39
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMO O15229 1/20 0.36
PTGS2 P35354 2/20 0.35
CYP11B1 P15538 2/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12457558 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP2A6CYP11B2KMOCYP11B1
SCHEMBL12275578 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP11B2HIF1ANPSR1RXFP1
SCHEMBL4607798 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP11B2KMOCYP11B1ABCC9
SCHEMBL19756413 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CYP11B2KMOCYP11B1ABCC9
SCHEMBL1092164 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ANPSR1RXFP1ALDH1A1
SCHEMBL14991759 0.77 CYP2A6 (0.41) SMN1; SMN2CYP2A6PTK2CYP11B2PTGS2
SCHEMBL583651 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ANPSR1RXFP1KMO
SCHEMBL12523381 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CYP11B2KMOALDH1A1CYP2C9
SCHEMBL12458872 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CYP11B2KMOCYP11B1ABCC9
SCHEMBL420682 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ANPSR1RXFP1KMO

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 SMN1; SMN2 4305/4885CYP2A6 1863/4885PTK2 1999/4885

“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.