SCHEMBL8516838

SCHEMBL8516838

CC(Cc1ccccc1C(F)(F)F)Nc1ncnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 2/20 0.50
▸ NR2F2 P24468 2/20 0.50
▸ EGFR P00533 6/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LDHA P00338 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL9609149 0.88 GALR3 (0.45) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8516559 0.88 GALR3 (0.45) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8491653 0.88 EGFR (0.49) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8484019 0.87 GALR3 (0.47) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8506836 0.87 GALR3 (0.44) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8483522 0.85 KRAS (0.48) GALR3NR2F2EGFRKMT2ACYP1A2
SCHEMBL8516669 0.84 RPS6KB1 (0.47) EGFRAURKBAURKARPS6KB1
SCHEMBL8516909 0.83 GALR3 (0.51) GALR3NR2F2EGFRKMT2AMEN1
SCHEMBL8516358 0.81 RAB9A (0.54) KMT2AMEN1LMNATSHRHTT
SCHEMBL12960876 0.81 EGFR (0.50) GALR3NR2F2EGFRKMT2AMEN1

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 910/4885EGFR 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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