SCHEMBL9608142

SCHEMBL9608142

CC(CC#Cc1ccc(C(F)(F)F)cc1)Nc1ncnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 2/20 0.45
▸ NR2F2 P24468 2/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ KDR P35968 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ LDHA P00338 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL9608138 0.88 GALR3 (0.48) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608137 0.87 GALR3 (0.56) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608146 0.86 RAB9A (0.49) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608140 0.85 EGFR (0.49) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608144 0.85 GALR3 (0.45) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608156 0.85 EGFR (0.45) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608147 0.85 EGFR (0.45) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608149 0.84 EGFR (0.44) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608151 0.84 LPAR2 (0.42) GALR3NR2F2ABCG2EGFRHTT
SCHEMBL9608141 0.83 GALR3 (0.45) GALR3NR2F2ABCG2EGFRHTT

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 4012/4885ABCG2 1188/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GALR3 597/4885NR2F2 910/4885ABCG2 3012/4885

“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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