SCHEMBL9608143

SCHEMBL9608143

COc1ccccc1C#CCC(C)Nc1ncnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ APP P05067 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HTT P42858 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ EGFR P00533 4/20 0.44
▸ KRAS P01116 3/20 0.44
▸ SOS1 Q07889 2/20 0.44
▸ LDHA P00338 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ DYRK3 O43781 1/20 0.42

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
SCHEMBL9608145 0.85 NR2F2 (0.44) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL9608139 0.84 GALR3 (0.48) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL9608102 0.83 KMT2A (0.53) NR2F2GALR3SMN1; SMN2HTTEGFR
SCHEMBL9608141 0.81 GALR3 (0.45) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL9608137 0.81 GALR3 (0.56) NR2F2GALR3APPSMN1; SMN2HTT
SCHEMBL9608158 0.81 GALR3 (0.44) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL9608138 0.80 GALR3 (0.48) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL9608020 0.80 APP (0.58) NR2F2GALR3APPSMN1; SMN2HTT
SCHEMBL9608155 0.79 KRAS (0.46) NR2F2GALR3SMN1; SMN2HTTMAPK1
SCHEMBL11245912 0.79 ABCG2 (0.53) NR2F2GALR3APPSMN1; SMN2HTT

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 NR2F2 4012/4885GALR3 3052/4885APP 2789/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 NR2F2 910/4885GALR3 597/4885APP 4160/4885

“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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