SCHEMBL9608165

SCHEMBL9608165

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GALR3 O60755 3/20 0.41
▸ NR2F2 P24468 3/20 0.41
▸ EGFR P00533 4/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ DAPK3 O43293 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ PIM1 P11309 1/20 0.36

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
SCHEMBL9608164 0.91 RAB9A (0.48) RAB9ASMN1; SMN2GAAMAPTMEN1
SCHEMBL9608138 0.84 GALR3 (0.48) RAB9ASMN1; SMN2GAAMAPTMEN1
SCHEMBL9608162 0.82 GALR3 (0.43) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL8516433 0.80 RAB9A (0.49) RAB9ASMN1; SMN2GAAMAPTMEN1
SCHEMBL9608137 0.74 GALR3 (0.56) RAB9ASMN1; SMN2GAAMAPTMEN1
SCHEMBL9608146 0.74 RAB9A (0.49) RAB9ASMN1; SMN2GAAMAPTKMT2A
SCHEMBL6122635 0.73 GALR3 (0.54) RAB9ASMN1; SMN2GALR3NR2F2EGFR
SCHEMBL9608140 0.73 EGFR (0.49) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL9608142 0.72 GALR3 (0.45) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL9608144 0.72 GALR3 (0.45) RAB9ASMN1; SMN2GAAMAPTMEN1

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 RAB9A 3469/4885SMN1; SMN2 3889/4885GAA 3714/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885SMN1; SMN2 4679/4885GAA 4563/4885

“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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