SCHEMBL8516559

SCHEMBL8516559

CC(Cc1ccc(F)cc1C(F)(F)F)Nc1ncnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ EGFR P00533 7/20 0.44
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.37
▸ LDHA P00338 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL9609147 0.91 MEN1 (0.41) EGFRIDO1MEN1KMT2AKDR
SCHEMBL9609149 0.89 GALR3 (0.45) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8491653 0.89 EGFR (0.49) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8506836 0.88 GALR3 (0.44) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8484019 0.88 GALR3 (0.47) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8516838 0.88 GALR3 (0.50) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8497995 0.87 EGFR (0.42) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL8483522 0.86 KRAS (0.48) GALR3NR2F2EGFRABCG2TSHR
SCHEMBL12960923 0.85 MEN1 (0.38) EGFRMEN1KMT2A
SCHEMBL8497996 0.84 CNR1 (0.46) EGFRHTTCYP1A2MEN1KMT2A

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 GALR3 597/4885NR2F2 910/4885EGFR 2442/4885

“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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