SCHEMBL8490854

SCHEMBL8490854

Fc1cccc2c(NCCc3ccccc3C(F)(F)F)ncnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 8/20 0.54
▸ AURKA O14965 8/20 0.54
▸ AURKB Q96GD4 6/20 0.54
▸ EGFR P00533 2/20 0.44
▸ PDPK1 O15530 2/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ APP P05067 1/20 0.40
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL9609200 0.87 RPS6KB1 (0.53) RPS6KB1AURKAAURKBEGFRPDPK1
SCHEMBL8495218 0.83 LMNA (0.60) RPS6KB1AURKAAURKBEGFRMAPK1
SCHEMBL7498445 0.82 AURKB (0.44) RPS6KB1AURKAAURKBMAPK1SMN1; SMN2
SCHEMBL8490466 0.81 RPS6KB1 (0.49) RPS6KB1AURKAAURKBEGFRPDPK1
SCHEMBL8504575 0.80 RPS6KB1 (0.46) RPS6KB1AURKAEGFRPDPK1MAPK1
SCHEMBL9608172 0.80 AURKA (0.44) RPS6KB1AURKAAURKBEGFRPDPK1
SCHEMBL8516669 0.78 RPS6KB1 (0.47) RPS6KB1AURKAAURKBEGFRPDPK1
SCHEMBL14843414 0.78 AURKA (0.46) RPS6KB1AURKAAURKBPDPK1
SCHEMBL9921350 0.78 HTT (0.58) EGFRMAPK1LMNAHTTAPP
SCHEMBL8546216 0.78 AURKA (0.55) RPS6KB1AURKAAURKBEGFRMAPK1

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 RPS6KB1 3088/4885AURKA 3468/4885AURKB 3475/4885

“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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