SCHEMBL4199174

SCHEMBL4199174

CCNN(NCC)c1nc(-n2cccn2)nc(C)c1C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.38
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PDE4A P27815 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
SCHEMBL4195359 0.79 ADORA2A (0.40) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL4199176 0.77 ADORA2A (0.38) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL4203691 0.70 TSHR (0.41) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL4953687 0.68 ADORA2A (0.38) ADORA2APDE4A
SCHEMBL4199177 0.66 ADORA2A (0.34) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4199246 0.65 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL4194131 0.64 ADORA2A (0.38) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL4192282 0.64 ADORA2A (0.39) ADORA2AHTTPDE4A
SCHEMBL4202692 0.64 ADORA2A (0.39) ADORA2AHTTPDE4A
SCHEMBL4199543 0.63 ADORA2A (0.39) ADORA2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-12 US disclosed
EP-2006288-A1 AMINOPYRIDINE DERIVATIVE AND PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-12-24 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-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use DPYD, PM20D2, PDCD11 ADORA2A 608/4885ADORA3 765/4885ADORA2B 615/4885

“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.