SCHEMBL9608138

SCHEMBL9608138

CC(CC#Cc1ccc(F)cc1)Nc1ncnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 2/20 0.48
▸ NR2F2 P24468 2/20 0.48
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ABCG2 Q9UNQ0 3/20 0.41
▸ EGFR P00533 3/20 0.41
▸ LDHA P00338 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ S1PR2 O95136 1/20 0.38

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
SCHEMBL9608137 0.90 GALR3 (0.56) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608146 0.89 RAB9A (0.49) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608162 0.89 GALR3 (0.43) GALR3NR2F2TP53SMN1; SMN2GAA
SCHEMBL9608140 0.88 EGFR (0.49) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608142 0.88 GALR3 (0.45) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608144 0.88 GALR3 (0.45) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608165 0.84 RAB9A (0.44) GALR3NR2F2SMN1; SMN2GAAMAPK1
SCHEMBL9608154 0.81 GALR3 (0.41) GALR3NR2F2SMN1; SMN2GAAALOX15
SCHEMBL9608151 0.80 LPAR2 (0.42) GALR3NR2F2SMN1; SMN2HTTABCG2
SCHEMBL9608143 0.80 NR2F2 (0.46) GALR3NR2F2SMN1; SMN2GAAALOX15

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 4012/4885TP53 2018/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GALR3 597/4885NR2F2 910/4885TP53 4158/4885

“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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