SCHEMBL9608155

SCHEMBL9608155

COc1ccc(C#CCC(C)Nc2ncnc3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ EGFR P00533 10/20 0.43
▸ NR2F2 P24468 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ NEK4 P51957 1/20 0.43

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
SCHEMBL9608147 0.88 EGFR (0.45) EGFRNR2F2KDRABCG2HTT
SCHEMBL9608154 0.88 GALR3 (0.41) SMN1; SMN2ALDH1A1MAPK1EGFRNR2F2
SCHEMBL9608153 0.87 GALR3 (0.41) SMN1; SMN2MAPK1EGFRNR2F2ABCG2
SCHEMBL9608157 0.87 GALR3 (0.43) ALDH1A1MAPK1EGFRNR2F2CLK4
SCHEMBL9608141 0.86 GALR3 (0.45) SMN1; SMN2ALDH1A1MAPK1EGFRNR2F2
SCHEMBL8483522 0.82 KRAS (0.48) KRASSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL9608156 0.80 EGFR (0.45) EGFRNR2F2KDRABCG2HTT
SCHEMBL8516621 0.80 LPAR2 (0.36) KRASEGFRKDRKMT2ASOS1
SCHEMBL9608206 0.80 RPS6KB1 (0.40) KRASEGFRAURKBSOS1
SCHEMBL9608149 0.79 EGFR (0.44) SMN1; SMN2EGFRNR2F2POLBKDR

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 KRAS 841/4885SMN1; SMN2 3889/4885ALDH1A1 2173/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 KRAS 4224/4885SMN1; SMN2 4679/4885ALDH1A1 2127/4885

“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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