SCHEMBL3154607

SCHEMBL3154607

[c]1cccc(OCCCc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 2/20 0.46
LTA4H P09960 1/20 0.44
HRH1 P35367 2/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PPARG P37231 1/20 0.35
NAAA Q02083 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
SLC2A1 P11166 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
SCHEMBL3170035 0.92 LTA4H (0.53) CYP3A4CYP2D6CYP2C9LTA4HCYP11B1
SCHEMBL919468 0.85 DRD2 (0.51) DRD2DRD4DRD3NAAAMAOA
SCHEMBL3154751 0.84 CYP2D6 (0.51) CYP3A4CYP2D6CYP2C9HRH1CYP1A2
SCHEMBL921839 0.82 SMN1; SMN2 (0.42) MAPK1
SCHEMBL921326 0.81 NAAA (0.50) DRD2DRD4DRD3NAAAMAOA
SCHEMBL3169037 0.80 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9LTA4HHRH1
SCHEMBL921383 0.79 NAAA (0.52) DRD2DRD4DRD3NAAAMAOA
SCHEMBL5249886 0.79 NAAA (0.52) DRD2DRD4DRD3NAAAMAOA
SCHEMBL5704638 0.77 KCNA3 (0.42) LTA4HDRD2DRD4DRD3MAOA
SCHEMBL3166209 0.77 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9HRH1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CYP3A4 1704/4885CYP2D6 1505/4885CYP2C9 1276/4885

“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.