SCHEMBL8483529

SCHEMBL8483529

CC(Cc1ccc(F)cc1)Nc1ncnc2sccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ RAB9A P51151 5/20 0.53
▸ TNF P01375 3/20 0.53
▸ NOD1 Q9Y239 3/20 0.53
▸ FDPS P14324 1/20 0.48
▸ NPC1 O15118 3/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL8504287 0.89 RAB9A (0.54) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8516427 0.88 RAB9A (0.56) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8516744 0.88 RAB9A (0.53) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8491417 0.87 TNF (0.66) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8491611 0.87 RAB9A (0.50) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8483172 0.83 RAB9A (0.49) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8485446 0.82 EGFR (0.47) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8516442 0.81 RAB9A (0.49) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL8516749 0.81 RAB9A (0.46) MEN1KMT2ARAB9ATNFNOD1
SCHEMBL9608096 0.80 MEN1 (0.51) MEN1KMT2ARAB9ATNFNOD1

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 MEN1 4853/4885KMT2A 1271/4885RAB9A 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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