SCHEMBL3154669

SCHEMBL3154669

[c]1ccc(OCCCc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2A6 P11509 1/20 0.51
SERPINE1 P05121 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH1 P35367 2/20 0.49
CHRNA7 P36544 2/20 0.46
TBXAS1 P24557 6/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL3165235 0.92 CYP2D6 (0.49) CYP2D6CYP3A4CYP2C9CYP2A6SERPINE1
SCHEMBL3154751 0.84 CYP2D6 (0.51) CYP2D6CYP3A4CYP2C9CYP2A6SERPINE1
SCHEMBL864294 0.82 MAPK1 (0.52) TDP1CYP19A1
SCHEMBL7301110 0.82 CYP3A4 (0.59) CYP2D6CYP3A4CYP2C9CYP2A6SERPINE1
SCHEMBL8195412 0.82 CYP2A6 (0.59) CYP2D6CYP2A6TDP1L3MBTL1HRH1
SCHEMBL3169037 0.80 CYP3A4 (0.54) CYP2D6CYP3A4CYP2C9HRH1HRH4
SCHEMBL919854 0.80 DRD2 (0.56)
SCHEMBL2978233 0.80 SCN8A (0.55) CYP2D6TDP1CYP1A2
SCHEMBL23291337 0.79 CHRNA7 (0.65) CYP2D6CYP3A4CYP2C9CYP2A6SERPINE1
SCHEMBL30428139 0.79 CHRNA7 (0.65) CYP2D6CYP3A4CYP2C9CYP2A6SERPINE1

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 CYP2D6 1505/4885CYP3A4 1704/4885CYP2C9 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.