SCHEMBL9608096

SCHEMBL9608096

CC(CC#Cc1ccc(F)cc1)Nc1ncnc2sccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 5/20 0.48
▸ TNF P01375 3/20 0.48
▸ NOD1 Q9Y239 3/20 0.48
▸ FDPS P14324 1/20 0.44
▸ TP53 P04637 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ PIP4K2A P48426 1/20 0.37
▸ PIP4K2C Q8TBX8 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
SCHEMBL9608107 0.89 RAB9A (0.51) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608098 0.89 RAB9A (0.48) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL6123117 0.89 RAB9A (0.59) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608101 0.88 RAB9A (0.46) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608104 0.88 RAB9A (0.46) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608106 0.88 RAB9A (0.47) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608112 0.84 RAB9A (0.44) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608113 0.83 EGFR (0.43) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608128 0.83 EGFR (0.45) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608132 0.83 RAB9A (0.51) MEN1KMT2ARAB9ATNFNOD1

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 MEN1 1883/4885KMT2A 982/4885RAB9A 3469/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 MEN1 4853/4885KMT2A 1271/4885RAB9A 4200/4885

“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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