SCHEMBL8484113

SCHEMBL8484113

COCc1ccccc1CCNc1ncnc2c(C)cc(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 5/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HPGD P15428 3/20 0.40
APP P05067 2/20 0.39
NPC1 O15118 2/20 0.39
NR2F2 P24468 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL8483456 0.89 RXFP1 (0.42) HTTSMN1; SMN2MAPK1LDHAALDH1A1
SCHEMBL8485494 0.86 RPS6KB1 (0.47) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL9608197 0.82 HTT (0.38) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL8516979 0.81 KMT2A (0.41) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL9609099 0.79 RPS6KB1 (0.52) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL8504575 0.78 RPS6KB1 (0.46) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL8491743 0.78 RPS6KB1 (0.46) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL8482247 0.77 MAPT (0.42) HTTSMN1; SMN2MAPK1LDHAALDH1A1
SCHEMBL8490466 0.76 RPS6KB1 (0.49) HTTSMN1; SMN2LMNAMAPK1LDHA
SCHEMBL8483358 0.76 HTT (0.60) HTTSMN1; SMN2LMNAMAPK1LDHA

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 2572/4885SMN1; SMN2 4679/4885LMNA 4659/4885

“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.