SCHEMBL9608128

SCHEMBL9608128

CC(CC#Cc1c(Cl)cc(F)cc1Cl)Nc1ncnc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ TNF P01375 2/20 0.45
▸ NOD1 Q9Y239 2/20 0.45
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ FDPS P14324 1/20 0.41
▸ FADS1 O60427 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9608129 0.89 RAB9A (0.43) EGFRRAB9ATNFNOD1MEN1
SCHEMBL8491209 0.89 RAB9A (0.50) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608113 0.88 EGFR (0.43) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608096 0.83 MEN1 (0.51) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608130 0.82 RAB9A (0.47) EGFRRAB9ATNFNOD1MEN1
SCHEMBL8516442 0.82 RAB9A (0.49) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608118 0.82 RAB9A (0.43) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608097 0.81 RAB9A (0.52) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608098 0.81 RAB9A (0.48) EGFRRAB9ATNFNOD1MEN1
SCHEMBL9608112 0.81 RAB9A (0.44) EGFRRAB9ATNFNOD1MEN1

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 EGFR 3683/4885RAB9A 3469/4885TNF 4828/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 EGFR 2442/4885RAB9A 4200/4885TNF 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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