SCHEMBL8516744

SCHEMBL8516744

CC(Cc1ccc(Cl)cc1)Nc1ncnc2sccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ TNF P01375 2/20 0.53
▸ NOD1 Q9Y239 2/20 0.53
▸ GAA P10253 2/20 0.49
▸ FDPS P14324 1/20 0.48
▸ FADS1 O60427 1/20 0.46
▸ HTT P42858 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ EGFR P00533 1/20 0.44
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL8516427 0.90 RAB9A (0.56) RAB9ATNFNOD1FDPSFADS1
SCHEMBL8504287 0.89 RAB9A (0.54) RAB9ATNFNOD1GAAFDPS
SCHEMBL8483529 0.88 MEN1 (0.56) RAB9ATNFNOD1FDPSHTT
SCHEMBL8491417 0.87 TNF (0.66) RAB9ATNFNOD1FDPSHTT
SCHEMBL8491611 0.84 RAB9A (0.50) RAB9ATNFNOD1FDPSHTT
SCHEMBL8504826 0.82 TNF (0.48) RAB9ATNFNOD1GAAFDPS
SCHEMBL9609197 0.81 RAB9A (0.55) RAB9ATNFNOD1FDPSFADS1
SCHEMBL8506789 0.81 RAB9A (0.45) RAB9ATNFNOD1FDPSFADS1
SCHEMBL8505245 0.81 RAB9A (0.46) RAB9ATNFNOD1GAAFDPS
SCHEMBL22862444 0.81 RAB9A (0.76) RAB9ATNFNOD1GAAFDPS

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 RAB9A 4200/4885TNF 4733/4885NOD1 347/4885

“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.

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