SCHEMBL9608125

SCHEMBL9608125

CC(CC#Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ TNF P01375 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ FADS1 O60427 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ FDPS P14324 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PIP4K2A P48426 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL9608115 0.90 RAB9A (0.42) RAB9ATNFNOD1EGFRFDPS
SCHEMBL9608127 0.87 RAB9A (0.40) RAB9ATNFNOD1EGFRFDPS
SCHEMBL9608116 0.87 RAB9A (0.44) RAB9ATNFNOD1FADS1EGFR
SCHEMBL9608099 0.87 RAB9A (0.49) RAB9ATNFNOD1FDPSMEN1
SCHEMBL9608124 0.85 RAB9A (0.41) RAB9ATNFNOD1FADS1EGFR
SCHEMBL9608114 0.85 RAB9A (0.43) RAB9ATNFNOD1EGFRFDPS
SCHEMBL9608111 0.84 RAB9A (0.42) RAB9ATNFNOD1FADS1EGFR
SCHEMBL9608204 0.84 LPAR2 (0.48) LPAR1LPAR2CNR1CNR2
SCHEMBL9608120 0.83 TNF (0.41) RAB9ATNFNOD1FADS1EGFR
SCHEMBL9608153 0.83 GALR3 (0.41) RAB9AFADS1EGFRMEN1KMT2A

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 3469/4885TNF 4828/4885NOD1 3465/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885TNF 4733/4885NOD1 347/4885

“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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