SCHEMBL9608168

SCHEMBL9608168

FC(F)(F)c1ccccc1C#CCC(Nc1ncnc2ccccc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 3/20 0.46
▸ NR2F2 P24468 3/20 0.46
▸ RPS6KB1 P23443 9/20 0.42
▸ AURKA O14965 6/20 0.42
▸ AURKB Q96GD4 3/20 0.38
▸ EGFR P00533 4/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37

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
SCHEMBL9608141 0.85 GALR3 (0.45) GALR3NR2F2AURKBEGFRABCG2
SCHEMBL6122635 0.82 GALR3 (0.54) GALR3NR2F2RPS6KB1AURKAAURKB
SCHEMBL8516909 0.79 GALR3 (0.51) GALR3NR2F2RPS6KB1AURKAAURKB
SCHEMBL6121969 0.78 GALR3 (0.58) GALR3NR2F2RPS6KB1AURKAAURKB
SCHEMBL9608170 0.78 RAB9A (0.43) GALR3NR2F2RPS6KB1AURKAAURKB
SCHEMBL9608010 0.77 HTT (0.48) GALR3NR2F2EGFRABCG2RAB9A
SCHEMBL9608157 0.76 GALR3 (0.43) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608147 0.75 EGFR (0.45) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608154 0.75 GALR3 (0.41) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608153 0.74 GALR3 (0.41) GALR3NR2F2EGFRABCG2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 — — US disclosed
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 — — US disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 — — US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 — — US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 — — US disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 — — US 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 (2 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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives HCN1, HCN2, HCN3 GALR3 3052/4885NR2F2 4012/4885RPS6KB1 1262/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GALR3 597/4885NR2F2 910/4885RPS6KB1 3088/4885

“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.

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