SCHEMBL9608140

SCHEMBL9608140

CC(CC#Cc1ccc(Cl)cc1)Nc1ncnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.49
▸ GALR3 O60755 2/20 0.48
▸ NR2F2 P24468 2/20 0.48
▸ HTT P42858 3/20 0.47
▸ GAA P10253 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ FADS1 O60427 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9608137 0.90 GALR3 (0.56) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608146 0.89 RAB9A (0.49) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608138 0.88 GALR3 (0.48) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608142 0.85 GALR3 (0.45) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608144 0.85 GALR3 (0.45) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608139 0.84 GALR3 (0.48) EGFRGALR3NR2F2HTTGAA
SCHEMBL9608151 0.82 LPAR2 (0.42) EGFRGALR3NR2F2HTTLMNA
SCHEMBL9608153 0.80 GALR3 (0.41) EGFRGALR3NR2F2HTTABCG2
SCHEMBL11248882 0.80 EGFR (0.52) EGFRGALR3NR2F2HTTFADS1
SCHEMBL9608098 0.80 RAB9A (0.48) EGFRHTTGAALMNAFADS1

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

“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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