SCHEMBL9608123

SCHEMBL9608123

CC(CC#Cc1ccc(S(C)(=O)=O)cc1Cl)Nc1ncnc2sccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 7/20 0.48
▸ PIP4K2C Q8TBX8 2/20 0.48
▸ TNF P01375 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ PIP4K2B P78356 1/20 0.40
▸ FDPS P14324 1/20 0.39
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR2 Q9HBW0 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ EGFR P00533 3/20 0.37
▸ FADS1 O60427 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL9608121 0.86 RAB9A (0.44) TNFRAB9ANOD1FDPSHTT
SCHEMBL9608113 0.85 EGFR (0.43) TNFRAB9ANOD1FDPSEGFR
SCHEMBL9608097 0.83 RAB9A (0.52) TNFRAB9ANOD1FDPSLMNA
SCHEMBL9608119 0.83 RAB9A (0.41) TNFRAB9ANOD1FDPSLMNA
SCHEMBL9608124 0.83 RAB9A (0.41) PIP4K2ATNFRAB9ANOD1FDPS
SCHEMBL9608103 0.81 TNF (0.48) PIP4K2APIP4K2CTNFRAB9ANOD1
SCHEMBL9608116 0.80 RAB9A (0.44) TNFRAB9ANOD1FDPSLMNA
SCHEMBL9608126 0.78 RAB9A (0.46) TNFRAB9ANOD1FDPSLMNA
SCHEMBL9608111 0.78 RAB9A (0.42) TNFRAB9ANOD1FDPSLMNA
SCHEMBL8491209 0.78 RAB9A (0.50) TNFRAB9ANOD1FDPSLMNA

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 PIP4K2A 2396/4885PIP4K2C 2187/4885TNF 4828/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 PIP4K2A 1504/4885PIP4K2C 1259/4885TNF 4733/4885

“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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