SCHEMBL9609092

SCHEMBL9609092

OCCc1ccccc1CCNc1ncnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
HTT P42858 4/20 0.65
EGFR P00533 3/20 0.65
APP P05067 2/20 0.65
MAPK1 P28482 2/20 0.65
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.64
LDHA P00338 1/20 0.56
GAA P10253 3/20 0.55
ALPG P10696 1/20 0.55
S1PR2 O95136 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AURKA O14965 2/20 0.54
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
MEN1 O00255 2/20 0.51

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
SCHEMBL8483442 0.87 HTT (0.67) LMNAHTTEGFRAPPMAPK1
SCHEMBL1520577 0.85 LMNA (0.75) LMNAHTTEGFRAPPMAPK1
SCHEMBL29898476 0.85 LMNA (0.75) LMNAHTTEGFRAPPMAPK1
SCHEMBL29898477 0.85 LMNA (0.75) LMNAHTTEGFRAPPMAPK1
SCHEMBL8497243 0.83 HTT (0.65) LMNAHTTEGFRAPPMAPK1
SCHEMBL8482300 0.83 HTT (0.67) LMNAHTTEGFRAPPMAPK1
SCHEMBL8544118 0.83 HTT (0.65) LMNAHTTEGFRAPPMAPK1
SCHEMBL8489605 0.83 LMNA (0.58) LMNAHTTEGFRAPPMAPK1
SCHEMBL8504270 0.82 HTT (0.68) LMNAHTTEGFRAPPMAPK1
SCHEMBL8506411 0.82 HTT (0.60) LMNAHTTEGFRAPPMAPK1

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 1 patent. 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

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 LMNA 4659/4885HTT 2572/4885EGFR 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.