SCHEMBL8516911

SCHEMBL8516911

CC(Cc1ccc(C(F)(F)F)cc1F)Nc1ncnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GALR3 O60755 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAK O14976 1/20 0.38

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
SCHEMBL12960876 0.90 EGFR (0.50) EGFRABCG2TSHRHTTGALR3
SCHEMBL8491653 0.89 EGFR (0.49) EGFRABCG2TSHRHTTGALR3
SCHEMBL8506874 0.88 EGFR (0.48) EGFRABCG2TSHRHTTGALR3
SCHEMBL8497655 0.83 NR2F2 (0.50) EGFRABCG2TSHRHTTGALR3
SCHEMBL8516559 0.83 GALR3 (0.45) EGFRABCG2TSHRHTTGALR3
SCHEMBL12960877 0.81 GALR3 (0.44) EGFRABCG2TSHRHTTGALR3
SCHEMBL8516838 0.81 GALR3 (0.50) EGFRABCG2TSHRHTTGALR3
SCHEMBL9608156 0.81 EGFR (0.45) EGFRABCG2TSHRHTTGALR3
SCHEMBL9609149 0.80 GALR3 (0.45) EGFRABCG2TSHRHTTGALR3
SCHEMBL8497433 0.80 GALR3 (0.43) EGFRABCG2TSHRHTTGALR3

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 EGFR 2442/4885ABCG2 3012/4885TSHR 489/4885

“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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