SCHEMBL8490934

SCHEMBL8490934

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ TNF P01375 3/20 0.46
▸ NOD1 Q9Y239 3/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ FDPS P14324 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ PIP4K2A P48426 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ IRAK4 Q9NWZ3 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
SCHEMBL8492992 0.92 RAB9A (0.46) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8504666 0.89 TNF (0.45) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8483172 0.87 RAB9A (0.49) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8506770 0.86 RAB9A (0.43) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8516358 0.86 RAB9A (0.54) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8485446 0.85 EGFR (0.47) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL8516749 0.84 RAB9A (0.46) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9609095 0.84 RAB9A (0.46) RAB9ATNFNOD1MEN1KMT2A
SCHEMBL9609147 0.83 MEN1 (0.41) MEN1KMT2AEGFR
SCHEMBL9608115 0.81 RAB9A (0.42) RAB9ATNFNOD1MEN1KMT2A

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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