SCHEMBL4199246

SCHEMBL4199246

CCC(C)c1c(Cl)nc(-n2cccn2)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.39
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.32
NOTUM Q6P988 1/20 0.31
DGAT1 O75907 2/20 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
SCHEMBL4194131 0.83 ADORA2A (0.38) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4195359 0.82 ADORA2A (0.40) ADORA2AMAPTKDM4EALDH1A1HTT
SCHEMBL4202692 0.80 ADORA2A (0.39) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4201476 0.72 ADORA2A (0.40) ADORA2AALDH1A1HTTADORA3ADORA2B
SCHEMBL4192282 0.71 ADORA2A (0.39) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4199543 0.70 ADORA2A (0.39) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4199549 0.70 ADORA2A (0.39) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4189572 0.70 ADORA2A (0.41) ADORA2AMAPTKDM4EALDH1A1HPGD
SCHEMBL4199144 0.69 CYP1A2 (0.34) LMNA
SCHEMBL4953687 0.69 ADORA2A (0.38) 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 608/4885MAPT 3707/4885KDM4E 1297/4885

“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.