SCHEMBL9608157

SCHEMBL9608157

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ EGFR P00533 2/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CCNE2 O96020 4/20 0.34
▸ CCNE1 P24864 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL9608147 0.89 EGFR (0.45) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608154 0.89 GALR3 (0.41) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608153 0.89 GALR3 (0.41) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608141 0.88 GALR3 (0.45) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608155 0.87 KRAS (0.46) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608156 0.82 EGFR (0.45) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8516621 0.81 LPAR2 (0.36) EGFRLPAR1LPAR2AAK1
SCHEMBL8484019 0.81 GALR3 (0.47) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608149 0.81 EGFR (0.44) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL9608163 0.80 EGFR (0.39) GALR3NR2F2EGFRABCG2TSHR

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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