SCHEMBL9609215

SCHEMBL9609215

Clc1ncnc(NCCc2ccccc2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
MAPK1 P28482 3/20 0.59
APP P05067 2/20 0.59
LMNA P02545 2/20 0.59
EGFR P00533 1/20 0.59
RAB9A P51151 2/20 0.54
GALR3 O60755 1/20 0.54
SLC29A1 Q99808 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
MAPT P10636 2/20 0.49
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL11105641 0.84 METAP2 (0.57) HTTMAPK1APPLMNAEGFR
SCHEMBL9609203 0.84 GALR3 (0.58) HTTMAPK1APPLMNAEGFR
SCHEMBL3111587 0.84 RAB9A (0.74) HTTMAPK1APPLMNAEGFR
SCHEMBL12960952 0.83 HTT (0.55) HTTMAPK1APPLMNAEGFR
SCHEMBL11103596 0.83 HTT (0.55) HTTMAPK1APPLMNAEGFR
SCHEMBL8307878 0.82 HTT (0.54) HTTMAPK1APPLMNAEGFR
SCHEMBL23162580 0.81 TAAR1 (0.56) HTTMAPK1APPLMNAEGFR
SCHEMBL8485751 0.80 HTT (0.51) HTTMAPK1APPLMNAEGFR
SCHEMBL8705066 0.80 HTT (0.51) HTTMAPK1APPLMNAEGFR
SCHEMBL8707197 0.79 HTT (0.50) HTTMAPK1APPLMNAEGFR

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 HTT 2572/4885MAPK1 4076/4885APP 4160/4885

“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.