SCHEMBL3163407

SCHEMBL3163407

[c]1ccc(OCCCc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.56
HRH1 P35367 2/20 0.49
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
NAAA Q02083 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3160862 0.92 HPGD (0.48) CYP2D6CYP2C9CYP3A4HRH1CYP1A2
SCHEMBL147199 0.86 CYP3A4 (0.61) CYP2D6CYP2C9CYP3A4HRH1KCNH2
SCHEMBL3166209 0.83 CYP3A4 (0.49) CYP2D6CYP2C9CYP3A4HRH1KCNH2
SCHEMBL11272616 0.81 KCNA3 (0.59) CYP2D6CYP2C9CYP3A4HRH1KCNH2
SCHEMBL864159 0.81 KDM4E (0.58) CYP2D6CYP2C9CYP3A4KCNH2CYP1A2
SCHEMBL10452372 0.80 CYP3A4 (0.59) CYP2D6CYP2C9CYP3A4HRH1KCNH2
SCHEMBL8191565 0.79 HRH1 (0.51) CYP2D6CYP3A4HRH1CYP1A2CYP2C19
SCHEMBL2984620 0.78 CHRM2 (0.54) SMN1; SMN2HPGDALDH1A1ALOX15HSD17B10
SCHEMBL7445422 0.78 HRH1 (0.58) CYP2D6CYP2C9CYP3A4HRH1CYP1A2
SCHEMBL10697786 0.77 HRH1 (0.53) CYP2D6CYP2C9CYP3A4HRH1KCNH2

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 1505/4885CYP2C9 1276/4885CYP3A4 1704/4885

“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.