SCHEMBL9608220

SCHEMBL9608220

Nc1c(Cl)ncnc1NCCC#Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
GALR3 O60755 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
EGFR P00533 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AURKA O14965 2/20 0.34
RPS6KB1 P23443 2/20 0.34
AURKB Q96GD4 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP3A4 P08684 5/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C19 P33261 4/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL9608219 0.87 PTGDR2 (0.34) EGFRKDM4ELMNAAURKARPS6KB1
SCHEMBL9608216 0.87 CYP3A4 (0.35) GALR3EGFRKDM4ELMNAAURKA
SCHEMBL12960838 0.84 CYP3A4 (0.34) EGFRKDM4ELMNAAURKARPS6KB1
SCHEMBL9608222 0.82 CA1 (0.38) RAB9AKDM4EHTTMAPTKMT2A
SCHEMBL8484011 0.81 AURKA (0.43) EGFRHTTAURKARPS6KB1AURKB
SCHEMBL8506746 0.80 CYP1A2 (0.36) EGFRHTTLMNAAURKARPS6KB1
SCHEMBL9608010 0.80 HTT (0.48) RAB9AGALR3EGFRKDM4EHTT
SCHEMBL9608175 0.79 CYP1A2 (0.52) EGFRHTTLMNACYP3A4CYP1A2
SCHEMBL9608174 0.79 ALDH1A1 (0.47) EGFRKDM4EHTTLMNAKMT2A
SCHEMBL10344760 0.78 RAB9A (0.44) RAB9AGALR3KDM4CKDM4EHTT

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 8 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
WO-2012096061-A1 PYRIMIDINE-DERIVED PEST-CONTROL AGENT FOR USE IN AGRICULTURE AND HORTICULTURE 株式会社エス・ディー・エス バイオテック (JP) 2012-07-19 WO 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
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 WO 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 RAB9A 3469/4885GALR3 3052/4885KDM4C 760/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885GALR3 597/4885KDM4C 1479/4885

“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.