SCHEMBL8490752

SCHEMBL8490752

CC(Cc1ccccc1CO)Nc1ncnc2sccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.57
▸ TNF P01375 2/20 0.57
▸ NOD1 Q9Y239 2/20 0.57
▸ NPC1 O15118 4/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ FDPS P14324 1/20 0.49
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ CXCR2 P25025 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PIK3CD O00329 1/20 0.40

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
SCHEMBL9609193 0.87 RAB9A (0.58) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8506455 0.87 RAB9A (0.58) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8516404 0.86 RAB9A (0.57) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8516749 0.85 RAB9A (0.46) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8505245 0.85 RAB9A (0.46) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8505866 0.84 KMT2A (0.68) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8516358 0.83 RAB9A (0.54) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8504500 0.83 MEN1 (0.55) RAB9ATNFNOD1NPC1MEN1
SCHEMBL8491417 0.83 TNF (0.66) RAB9ATNFNOD1NPC1MEN1
SCHEMBL9608109 0.82 RAB9A (0.50) RAB9ATNFNOD1NPC1MEN1

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 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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