SCHEMBL3166209

SCHEMBL3166209

[c]1cccc(OCCCc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HRH1 P35367 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NAAA Q02083 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3167501 0.92 CA12 (0.44) CYP3A4CYP2D6CYP2C9HRH1CYP1A2
SCHEMBL919647 0.83 KDM4E (0.50) CYP3A4CYP2D6CYP2C9SMN1; SMN2CYP1A2
SCHEMBL3163407 0.83 CYP2D6 (0.56) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL147199 0.82 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL3169430 0.78 KCNA3 (0.32)
SCHEMBL919468 0.78 DRD2 (0.51) NAAANPC1
SCHEMBL11272616 0.77 KCNA3 (0.59) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL3154607 0.77 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9HRH1CYP1A2
SCHEMBL10452372 0.76 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL5704638 0.76 KCNA3 (0.42) SMN1; SMN2ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.