SCHEMBL9608154

SCHEMBL9608154

CC(CC#Cc1ccc(F)cc1C(F)(F)F)Nc1ncnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ EGFR P00533 5/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 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 0.92 LPAR2 (0.36) EGFRLPAR1LPAR2AAK1
SCHEMBL9608163 0.90 EGFR (0.39) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608147 0.90 EGFR (0.45) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608157 0.89 GALR3 (0.43) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608153 0.89 GALR3 (0.41) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608141 0.89 GALR3 (0.45) GALR3NR2F2EGFRABCG2HTT
SCHEMBL9608155 0.88 KRAS (0.46) GALR3NR2F2EGFRABCG2HTT
SCHEMBL12960924 0.87 IRAK4 (0.41) EGFRHTTMAPK1SMN1; SMN2CLK4
SCHEMBL9608200 0.86 CNR1 (0.43) EGFRCYP1A2CYP2D6CLK4
SCHEMBL9608198 0.86 MEN1 (0.43) EGFRHTTSMN1; SMN2LPAR1LPAR2

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 GALR3 3052/4885NR2F2 4012/4885EGFR 3683/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GALR3 597/4885NR2F2 910/4885EGFR 2442/4885

“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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