SCHEMBL8516140

SCHEMBL8516140

CCOC(OCC)c1ccccc1CCNc1ncnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 4/20 0.54
EGFR P00533 4/20 0.54
APP P05067 2/20 0.54
LDHA P00338 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
S1PR2 O95136 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 4/20 0.49
ALPG P10696 1/20 0.49
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
AURKA O14965 1/20 0.44
NR2F2 P24468 3/20 0.44

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
SCHEMBL8491180 0.88 LDHA (0.59) HTTLMNAMAPK1EGFRAPP
SCHEMBL8483419 0.83 HTT (0.60) HTTLMNAMAPK1EGFRAPP
SCHEMBL8516229 0.82 LDHA (0.57) HTTLMNAMAPK1EGFRAPP
SCHEMBL8506041 0.81 HTT (0.64) HTTLMNAMAPK1EGFRAPP
SCHEMBL8482194 0.80 LMNA (0.58) HTTLMNAMAPK1EGFRAPP
SCHEMBL9608040 0.79 LDHA (0.48) HTTLMNAMAPK1EGFRAPP
SCHEMBL9609184 0.79 LMNA (0.56) HTTLMNAMAPK1EGFRAPP
SCHEMBL8490469 0.77 HTT (0.54) HTTLMNAMAPK1EGFRAPP
SCHEMBL8483285 0.77 APP (0.68) HTTLMNAMAPK1EGFRAPP
SCHEMBL8483442 0.76 HTT (0.67) HTTLMNAMAPK1EGFRAPP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885LMNA 4659/4885MAPK1 4076/4885

“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.