SCHEMBL8497433

SCHEMBL8497433

CC(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl)Nc1ncnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ CNR1 P21554 4/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ LPAR2 Q9HBW0 1/20 0.40
▸ EGFR P00533 5/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ FADS1 O60427 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 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
SCHEMBL8506874 0.92 EGFR (0.48) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL9608148 0.82 GALR3 (0.39) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8516748 0.81 GALR3 (0.53) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL12960876 0.81 EGFR (0.50) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL12960877 0.80 GALR3 (0.44) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8491653 0.80 EGFR (0.49) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8516911 0.80 EGFR (0.49) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8506836 0.79 GALR3 (0.44) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8491665 0.77 GALR3 (0.44) GALR3NR2F2CNR1CNR2LPAR2
SCHEMBL8497655 0.76 NR2F2 (0.50) GALR3NR2F2CNR1CNR2EGFR

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 GALR3 597/4885NR2F2 910/4885CNR1 57/4885

“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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