SCHEMBL3160447

SCHEMBL3160447

[c]1ccc(OCCc2ncncn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
LTA4H P09960 1/20 0.33
KCNA3 P22001 1/20 0.30
CYP3A4 P08684 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3154722 0.83 LTA4H (0.37) CYP2D6LTA4HKCNA3NPC1RAB9A
SCHEMBL3154778 0.81 NPC1 (0.35) NPC1RAB9A
SCHEMBL3174110 0.80 KCNA3 (0.31) KCNA3
SCHEMBL10785918 0.75 KCNA3 (0.43) KCNA3
SCHEMBL3163510 0.74 LTA4H (0.58) CYP2D6LTA4HCYP3A4NPC1RAB9A
SCHEMBL182812 0.71 CYP2D6 (0.41) CYP2D6LTA4HCYP3A4
SCHEMBL27448379 0.70 KCNA3 (0.41) LTA4HKCNA3
SCHEMBL832700 0.69 NPC1 (0.61) LTA4HKCNA3NPC1RAB9A
SCHEMBL3165235 0.69 CYP2D6 (0.49) CYP2D6LTA4HCYP3A4
SCHEMBL3169037 0.69 CYP3A4 (0.54) CYP2D6LTA4HCYP3A4

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 1505/4885LTA4H 461/4885KCNA3 3314/4885

“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.