SCHEMBL2642386

SCHEMBL2642386

[O]c1ncccc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
HTR1A P08908 9/20 0.39
SLC6A2 P23975 8/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 4/20 0.39
PDK4 Q16654 1/20 0.36
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NISCH Q9Y2I1 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
SCHEMBL363270 0.76 PDK2 (0.47) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2460605 0.74 HCAR2 (0.48) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL32162354 0.74 HCAR2 (0.48) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL32685167 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL15354765 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25400549 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2642390 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2643737 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL934667 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29800801 0.74 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK PDK2 15/4885HTR1A 2175/4885SLC6A2 1454/4885

“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.