SCHEMBL8516540

SCHEMBL8516540

N#Cc1ccccc1Oc1nc(C#CCCNc2ncnc3ccccc23)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
LMNA P02545 5/20 0.38
MAPK1 P28482 3/20 0.38
HTT P42858 3/20 0.38
APP P05067 2/20 0.38
EGFR P00533 2/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
HSD17B10 Q99714 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
CYP2C19 P33261 4/20 0.37
USP2 O75604 3/20 0.37
CYP2C9 P11712 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 3/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL8516377 0.87 LDHA (0.41) LDHALMNAMAPK1HTTAPP
SCHEMBL9609186 0.87 APP (0.48) LDHALMNAMAPK1HTTAPP
SCHEMBL9608086 0.87 LDHA (0.43) LDHALMNAMAPK1HTTAPP
SCHEMBL9608093 0.86 ABCG2 (0.43) LDHALMNAMAPK1HTTAPP
SCHEMBL8506086 0.85 EGFR (0.45) LDHALMNAMAPK1HTTAPP
SCHEMBL8505228 0.85 LDHA (0.39) LDHALMNAMAPK1HTTAPP
SCHEMBL9608091 0.85 LDHA (0.39) LDHALMNAMAPK1HTTAPP
SCHEMBL8504439 0.84 LDHA (0.41) LDHALMNAMAPK1HTTAPP
SCHEMBL9608092 0.83 ABCG2 (0.44) LDHALMNAMAPK1HTTAPP
SCHEMBL9609191 0.83 LMNA (0.46) LDHALMNAMAPK1HTTAPP

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 4 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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 US disclosed
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP 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 (1 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 LDHA 2794/4885LMNA 3472/4885MAPK1 3509/4885

“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.