SCHEMBL8504826

SCHEMBL8504826

Cc1cc(Cl)ccc1CC(C)Nc1ncnc2sccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NOD1 Q9Y239 3/20 0.48
▸ FADS1 O60427 1/20 0.47
▸ FDPS P14324 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ TSHR P16473 1/20 0.39
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL8483525 0.89 RAB9A (0.50) TNFRAB9ANOD1FDPSNPC1
SCHEMBL8483172 0.88 RAB9A (0.49) TNFRAB9ANOD1FDPSEGFR
SCHEMBL8505245 0.87 RAB9A (0.46) TNFRAB9ANOD1FADS1FDPS
SCHEMBL8504666 0.85 TNF (0.45) TNFRAB9ANOD1FADS1FDPS
SCHEMBL9609095 0.85 RAB9A (0.46) TNFRAB9ANOD1FDPSEGFR
SCHEMBL8506726 0.84 RAB9A (0.48) TNFRAB9ANOD1FADS1FDPS
SCHEMBL8506455 0.84 RAB9A (0.58) TNFRAB9ANOD1FDPSLMNA
SCHEMBL8485446 0.83 EGFR (0.47) TNFRAB9ANOD1FADS1FDPS
SCHEMBL8516744 0.82 RAB9A (0.53) TNFRAB9ANOD1FADS1FDPS
SCHEMBL8516404 0.81 RAB9A (0.57) TNFRAB9ANOD1FADS1FDPS

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 3 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
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 — — WO 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 TNF 4733/4885RAB9A 4200/4885NOD1 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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