SCHEMBL8516669

SCHEMBL8516669

CC(Cc1ccccc1C(F)(F)F)Nc1ncnc2c(F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 11/20 0.47
▸ AURKA O14965 9/20 0.47
▸ AURKB Q96GD4 4/20 0.47
▸ LPAR2 Q9HBW0 3/20 0.44
▸ LPAR1 Q92633 2/20 0.44
▸ NR1H2 P55055 3/20 0.40
▸ NR1H3 Q13133 3/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ AKT1 P31749 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ PDPK1 O15530 2/20 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
SCHEMBL8491976 0.86 LPAR1 (0.45) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL12960926 0.85 RPS6KB1 (0.44) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL8516838 0.84 GALR3 (0.50) RPS6KB1AURKAAURKBEGFR
SCHEMBL9608199 0.81 LPAR2 (0.42) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL8507035 0.81 LPAR2 (0.51) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL8490854 0.78 RPS6KB1 (0.54) RPS6KB1AURKAAURKBNR1H2NR1H3
SCHEMBL8498949 0.78 PDE1B (0.43) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL8516358 0.78 RAB9A (0.54) —
SCHEMBL8497982 0.77 LPAR1 (0.47) RPS6KB1AURKAAURKBLPAR2LPAR1
SCHEMBL8504821 0.76 LPAR2 (0.45) RPS6KB1AURKAAURKBLPAR2LPAR1

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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