SCHEMBL4606532

SCHEMBL4606532

Cc1nc(-c2cccc(N)c2)n(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NR1H2 P55055 7/20 0.41
GPR119 Q8TDV5 1/20 0.37
SCN3A Q9NY46 3/20 0.37
SCN4A P35499 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NR1H3 Q13133 1/20 0.36
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CSNK1D P48730 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL4606178 0.81 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1MAPTPTGS2
SCHEMBL4066085 0.78 FYN (0.43) NR1H2SCN3ASCN4AHSP90AA1HSP90AB1
SCHEMBL24176881 0.77 SMN1; SMN2 (0.38) SMN1; SMN2NR1H2SCN3ASCN4ARAB9A
SCHEMBL23213623 0.75 HSP90AA1 (0.41) SMN1; SMN2NR1H2GPR119SCN3ASCN4A
SCHEMBL29795977 0.75 HSP90AA1 (0.41) SMN1; SMN2NR1H2GPR119SCN3ASCN4A
SCHEMBL981026 0.74 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL24368122 0.71 MAP4K4 (0.41) NR1H2SCN3ASCN4ARAB9ANPC1
SCHEMBL3920471 0.71 NPC1 (0.42) NR1H2GPR119SCN3ASCN4ARAB9A
SCHEMBL21296771 0.71 MAP2K4 (0.39) SMN1; SMN2NR1H2SCN3ASCN4ARAB9A
SCHEMBL29938346 0.71 SCN9A (0.43) SMN1; SMN2NR1H2SCN3ASCN4ARAB9A

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 4305/4885NR1H2 63/4885GPR119 365/4885

“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.