SCHEMBL9608198

SCHEMBL9608198

CC(CC#Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LPAR2 Q9HBW0 2/20 0.37
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ FLT1 P17948 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ LPAR1 Q92633 1/20 0.34

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
SCHEMBL8516621 0.93 LPAR2 (0.36) MEN1KMT2ALPAR2KDRLPAR1
SCHEMBL9608200 0.93 CNR1 (0.43) MEN1KMT2ACNR1CNR2EGFR
SCHEMBL9608153 0.89 GALR3 (0.41) MEN1KMT2ALPAR2CNR1CNR2
SCHEMBL9608154 0.86 GALR3 (0.41) LPAR2SMN1; SMN2HTTALDH1A1LPAR1
SCHEMBL10445849 0.84 LPAR1 (0.37) MEN1KMT2ALPAR2CNR1CNR2
SCHEMBL9608204 0.84 LPAR2 (0.48) LPAR2CNR1CNR2LPAR1
SCHEMBL9608202 0.83 LPAR1 (0.42) LPAR2CNR1CNR2LPAR1
SCHEMBL9608201 0.83 PIK3CA (0.35) LPAR2CNR1CNR2FGFR1FLT1
SCHEMBL9608203 0.82 LPAR2 (0.45) LPAR2CNR1CNR2LPAR1
SCHEMBL12960924 0.82 IRAK4 (0.41) CNR1CNR2SMN1; SMN2HTTLMNA

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 7 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
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 982/4885LPAR2 4487/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 MEN1 4853/4885KMT2A 1271/4885LPAR2 1454/4885

“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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