SCHEMBL8504666

SCHEMBL8504666

CC(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.45
▸ NOD1 Q9Y239 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ FADS1 O60427 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ FDPS P14324 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PIP4K2A P48426 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL8490934 0.89 RAB9A (0.46) TNFNOD1RAB9AEGFRFDPS
SCHEMBL8506770 0.85 RAB9A (0.43) TNFNOD1RAB9AEGFRFDPS
SCHEMBL8504826 0.85 TNF (0.48) TNFNOD1RAB9AFADS1EGFR
SCHEMBL8516358 0.85 RAB9A (0.54) TNFNOD1RAB9AFDPSMEN1
SCHEMBL8491649 0.84 TNF (0.45) TNFNOD1RAB9AFADS1EGFR
SCHEMBL8505245 0.83 RAB9A (0.46) TNFNOD1RAB9AFADS1EGFR
SCHEMBL8492992 0.82 RAB9A (0.46) TNFNOD1RAB9AEGFRFDPS
SCHEMBL9608125 0.82 RAB9A (0.41) TNFNOD1RAB9AFADS1EGFR
SCHEMBL8506789 0.82 RAB9A (0.45) TNFNOD1RAB9AFADS1EGFR
SCHEMBL8507035 0.81 LPAR2 (0.51) —

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 4733/4885NOD1 347/4885RAB9A 4200/4885

“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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